SCHEMBL4309042

SCHEMBL4309042

COC(=O)c1ccccc1Oc1nc(OCC2COC(C)(OC)O2)nc(Oc2ccccc2C(=O)OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36
VDR P11473 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL4306737 0.92 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4312278 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4309017 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4317690 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4324712 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL5608893 0.76 TDP1 (0.35) SMN1; SMN2MEN1KMT2ATDP1HTR1A
SCHEMBL4318924 0.74 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10203678 0.71 MAPK14 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AVDR
SCHEMBL10203682 0.71 MAPK14 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AVDR
SCHEMBL9384288 0.70 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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