SCHEMBL7090742

SCHEMBL7090742

Clc1ccc(C2=Cc3ccccc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
PTGS2 P35354 2/20 0.45
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PTAFR P25105 1/20 0.35
HTR2C P28335 1/20 0.34
PRCP P42785 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL30666622 1.00 CYP11B1 (0.53) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL10402898 0.85 CYP11B1 (0.56) CYP11B1CYP11B2PTGS2CYP1A2CYP19A1
SCHEMBL8058170 0.84 CYP11B2 (0.61) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL6285180 0.84 CYP11B2 (0.61) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL31608568 0.84 CYP11B2 (0.65) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL319265 0.84 CYP11B2 (0.65) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL30666795 0.83 CYP11B2 (0.51) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL30487694 0.82 CYP11B1 (0.54) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL6287169 0.82 CYP11B1 (0.54) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL31666281 0.82 CYP11B2 (0.62) CYP11B1CYP11B2PTGS2IP6K1IP6K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP disclosed
US-6271411-B1 REACTING AN INDENE WITH AN ARENE COMPOUND SUBSTITUTED WITH AN HALOGEN ATOM, PREFERABLY A IODINE ATOM, OR WITH AN ORGANOSULPHONATE GROUP, IN A BASIC MEDIUM IN THE PRESENCE OF A PALLADIUM CATALYST. MONTELL TECHNOLOGY COMPANY BV (NL) 2001-08-07 US disclosed
CN-1228072-A Process for preparing 2-aryl-substituted indenes MONTELL TECHNOLOGY COMPANY BV (NL) 1999-09-08 CN disclosed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP disclosed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO disclosed