SCHEMBL7090598

SCHEMBL7090598

COc1ccc(C2=Cc3cc4ccccc4cc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.50
CYP11B1 P15538 4/20 0.50
CYP19A1 P11511 2/20 0.50
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL7096394 0.82 PTGS2 (0.57) CYP11B2CYP11B1CYP19A1PTGS2ALDH1A1
SCHEMBL30487693 0.82 PTGS2 (0.57) CYP11B2CYP11B1CYP19A1PTGS2ALDH1A1
SCHEMBL2626997 0.79 CYP11B1 (0.33) CYP11B2CYP11B1CYP19A1
SCHEMBL7094272 0.75 ABCG2 (0.40) CYP11B2CYP11B1NPC1RAB9AKDM4E
SCHEMBL6940332 0.74 CYP11B1 (0.35) CYP11B2CYP11B1CYP19A1NPC1KDM4E
SCHEMBL21776765 0.73 PTGS2 (0.41) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL26746931 0.73 CYP11B1 (0.32) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL8972556 0.72 PTGS2 (0.56) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL15702648 0.72 L3MBTL1 (0.35) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29127912 0.71 PTGS2 (0.55) CYP11B2CYP11B1CYP19A1PTGS2KDM4E

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 4 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
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