SCHEMBL17509809

SCHEMBL17509809

CCCCCCCCCCCCc1cc(O)cc(OC)c1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.97
CYP3A4 P08684 1/20 0.67
CALM1 P0DP23 3/20 0.60
CNR1 P21554 7/20 0.58
CNR2 P34972 5/20 0.58
GABRA1 P14867 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57

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
SCHEMBL17509792 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL15140969 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL16932836 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL17509777 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL17509775 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL23462775 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL10652400 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL17509787 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL21925060 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2
SCHEMBL17509811 1.00 PTGS2 (0.97) PTGS2CYP3A4CALM1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083513-A1 POLYCARBONATE RESIN FOR LIQUID CRYSTAL MEMBERS, POLYCARBONATE RESIN COMPOSITION FOR LIQUID CRYSTAL MEMBERS WHICH CONTAINS SAME, AND LIQUID CRYSTAL MEMBER IDEMITSU KOSAN CO., LTD. (JP) 2016-03-24 US disclosed
EP-2987816-A1 POLYCARBONATE RESIN FOR LIQUID CRYSTAL MEMBERS, POLYCARBONATE RESIN COMPOSITION FOR LIQUID CRYSTAL MEMBERS WHICH CONTAINS SAME, AND LIQUID CRYSTAL MEMBER Idemitsu Kosan Co., Ltd (JP) 2016-02-24 EP disclosed