SCHEMBL4313378

SCHEMBL4313378

CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccc(O)cc2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.87
ESR2 Q92731 6/20 0.87
CYP3A4 P08684 2/20 0.87
ALDH1A1 P00352 1/20 0.87
AR P10275 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
HTR6 P50406 1/20 0.70
ESRRG P62508 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
NR3C2 P08235 3/20 0.43
SHBG P04278 1/20 0.42
CA12 O43570 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phenol SCHEMBL27191078 0.96 ESR1 (0.79) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL51117 0.93 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL4310025 0.93 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL9353524 0.93 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1AR
Phenol SCHEMBL1652130 0.92 ESR1 (0.88) ESR1ESR2CYP3A4ALDH1A1AR
Barium SCHEMBL30124542 0.91 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1AR
Hydrogen Sulfide SCHEMBL5204816 0.91 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL29256040 0.91 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL16568667 0.91 ESR1 (0.95) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL29508175 0.91 ESR2 (0.95) ESR1ESR2CYP3A4ALDH1A1AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US claimed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US claimed
US-20050192411-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC CO. 2005-09-01 US claimed
EP-1423372-A2 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2004-06-02 EP claimed
US-20030078347-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY 2003-04-24 US claimed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO claimed
EP-1423372-B1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-20 EP disclosed
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US disclosed
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US disclosed
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US disclosed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US disclosed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US disclosed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US disclosed
US-7235611-B2 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY (US) 2007-06-26 US disclosed
US-7235611-B2 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY (US) 2007-06-26 US disclosed
US-7235611-B2 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY (US) 2007-06-26 US disclosed
US-20050192411-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC CO. 2005-09-01 US disclosed
EP-1423372-A2 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2004-06-02 EP disclosed
US-20030078347-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY 2003-04-24 US disclosed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO disclosed