SCHEMBL7093971

SCHEMBL7093971

C1=C(c2ccccc2)Cc2cccc(CCc3cccc4c3C=C(c3ccccc3)C4)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PNMT P11086 1/20 0.35
DPP4 P27487 1/20 0.33
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PRCP P42785 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL27537396 0.86 MAPT (0.35) CYP11B1CYP11B2PNMTDPP4TAAR1
SCHEMBL6056293 0.78 PRCP (0.42) CYP11B1CYP11B2DPP4PRCP
Hydrochloric Acid SCHEMBL27988524 0.75 PRCP (0.40) CYP11B1CYP11B2DPP4PRCP
SCHEMBL22569064 0.74 CYP19A1 (0.33) CYP11B1CYP11B2PDCD1CD274
SCHEMBL22569192 0.74 THRB (0.41)
SCHEMBL29672903 0.74 PRCP (0.39) CYP11B1CYP11B2DPP4PRCP
SCHEMBL7172757 0.74 PRCP (0.39) CYP11B1CYP11B2DPP4PRCP
SCHEMBL22569263 0.74 LTB4R (0.34)
SCHEMBL7465941 0.73 PNMT (0.35) PNMTTAAR1HTR2A
SCHEMBL27988523 0.72 PRCP (0.38) CYP11B1CYP11B2DPP4PRCP

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-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP claimed
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 claimed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP claimed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO claimed
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