SCHEMBL7527708

SCHEMBL7527708

C/C=C\c1ccc(/C=C\C)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CNR2 P34972 1/20 0.52
ATM Q13315 1/20 0.46
TYR P14679 1/20 0.44
NFE2L2 Q16236 1/20 0.39
APP P05067 4/20 0.38
RELA Q04206 2/20 0.36
APLNR P35414 1/20 0.36
TRPA1 O75762 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL9461723 1.00 CYP3A4 (0.65) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL333123 1.00 CYP3A4 (0.65) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL29982274 0.90 CYP3A4 (0.56) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL272755 0.87 NFE2L2 (0.56) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL272756 0.87 NFE2L2 (0.56) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL840235 0.87 NFE2L2 (0.56) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL1394423 0.85 ALDH1A1 (0.52) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL16234246 0.85 CYP3A4 (0.52) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL555296 0.85 APP (0.59) CYP3A4LMNATP53TSHRKDM4E
SCHEMBL597516 0.85 APP (0.59) CYP3A4LMNATP53TSHRKDM4E

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
JP-61113605-A None JP disclosed
US-6395410-B1 OLIGOMER OF ALKYL- OR ALKOXY- RING-SUBSTITUTED P-DIVINYLBENZENE; MAY BE REACTED WITH POLYBUTADIENE OR POLYOCTENAMER BAYER AKTIENGESELLSCHAFT (DE) 2002-05-28 US disclosed
US-20020045060-A1 09283192ELECTROLUMINESCENT DEVICES USING BLEND SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-18 US disclosed
EP-0964044-A1 Electroluminescent structure using a blend system Bayer Aktiengesellschaft (DE) 1999-12-15 EP disclosed
JP-S61113605-A POLYMER OF SUBSTITUTED DIETHYNYL BENZENE COMPOUND AND PRODUCTION THEREOF ASAHI CHEM IND CO LTD 1986-05-31 JP disclosed