SCHEMBL2747632

SCHEMBL2747632

C(=C(c1ccccc1)c1cccc(C(=Cc2ccccc2)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.63
CYP19A1 P11511 3/20 0.61
CYP11B2 P19099 2/20 0.61
PTGS2 P35354 5/20 0.52
AKR1C1 Q04828 1/20 0.47
ESR2 Q92731 2/20 0.46
CYP2D6 P10635 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT1 Q99873 1/20 0.42

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
SCHEMBL2747630 1.00 ESR1 (0.63) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL11548623 0.93 ESR1 (0.65) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL55433 0.91 ESR1 (0.74) ESR1CYP19A1CYP11B2PTGS2AKR1C1
Benzene SCHEMBL27868814 0.91 ESR1 (0.74) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL2747631 0.88 ESR1 (0.59) ESR1CYP19A1CYP11B2PTGS2AKR1C1
Bromide SCHEMBL28733230 0.88 ESR1 (0.71) ESR1CYP19A1CYP11B2PTGS2AKR1C1
Hydrochloric Acid SCHEMBL28642233 0.88 ESR1 (0.71) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL4272880 0.88 ESR1 (0.71) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL30366689 0.88 ESR1 (0.71) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL4612465 0.88 ESR1 (0.78) ESR1CYP19A1CYP11B2PTGS2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed
JP-2009256566-A METHOD OF MANUFACTURING AMINO GROUP-CONTAINING POLYDIENE, METHOD OF MANUFACTURING BLOCK COPOLYMER, AMINO GROUP-CONTAINING POLYDIENE, AND BLOCK COPOLYMER JSR CORP 2009-11-05 JP disclosed
JP-2009132870-A METHOD FOR PRODUCING AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING BLOCK COPOLYMER JSR CORP 2009-06-18 JP disclosed
WO-2009057412-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2009-05-07 WO disclosed