SCHEMBL4451593

SCHEMBL4451593

C=CCc1ccc(CC=C)c([O])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
MAPT P10636 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
GABRA1 P14867 6/20 0.47
GABRB2 P47870 6/20 0.47
CNR2 P34972 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
CNR1 P21554 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH2 P05091 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX5 P09917 6/20 0.45

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
SCHEMBL4452326 0.83 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL2050350 0.80 XDH (0.54) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL1245219 0.78 GABRA1 (0.61) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL5907655 0.77 XDH (0.50) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL5141122 0.77 XDH (0.50) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL7567988 0.76 ALDH1A1 (0.46) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL3078081 0.76 XDH (0.46) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL7846085 0.75 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL8584372 0.75 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1
SCHEMBL8645587 0.75 XDH (0.48) XDHMAPTCYP3A4CYP1A2GABRA1

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 12 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-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
US-20030078347-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY 2003-04-24 US disclosed