SCHEMBL1270901

SCHEMBL1270901

C=C(C)CBr.C=Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
MDM2 Q00987 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 1/20 0.37
TP53 P04637 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL123485 0.85 ALDH1A1 (0.55) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL6903620 0.83 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL7672210 0.81 ALDH1A1 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL11325348 0.81 ALDH1A1 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL14911 0.80
SCHEMBL679555 0.80 ALDH1A1 (0.69) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL7461119 0.79 ALDH1A1 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL2849520 0.79 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
Ethylene Glycol SCHEMBL5831764 0.79 ALDH1A1 (0.52) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A
Hexane SCHEMBL28578368 0.78 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404351-B1 Dynamically vulcanized alloys having improved stiffness/impact balance ADVANCED ELASTOMER SYSTEMS (US) 1996-08-28 EP claimed
EP-2267073-B1 FILM, INNER LINER FOR TIRE, AND TIRE USING THE INNER LINER BRIDGESTONE CORP (JP) 2016-11-02 EP disclosed
US-20110024015-A1 FILM, INNER LINER FOR TIRE, AND TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-02-03 US disclosed
EP-2267073-A1 FILM, INNER LINER FOR TIRE, AND TIRE USING THE INNER LINER Bridgestone Corporation (JP) 2010-12-29 EP disclosed
EP-0404351-B2 Dynamically vulcanized alloys having improved stiffness/impact balance ADVANCED ELASTOMER SYSTEMS (US) 2002-07-24 EP disclosed
EP-0404351-B1 Dynamically vulcanized alloys having improved stiffness/impact balance ADVANCED ELASTOMER SYSTEMS (US) 1996-08-28 EP disclosed
EP-0530250-B1 HOSE COMPOSITION EXXON CHEMICAL PATENTS INC (US) 1995-07-19 EP disclosed
EP-0655080-A1 HOSE COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1995-05-31 EP disclosed
WO-1994004611-A1 HOSE COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1994-03-03 WO disclosed
US-5246778-A Halogenated copolymer of isoolefin and p-alkylstyrene EXXON CHEMICAL PATENTS INC. (US) 1993-09-21 US disclosed
EP-0530250-A1 HOSE COMPOSITION. EXXON CHEMICAL PATENTS INC (US) 1993-03-10 EP disclosed
US-5100947-A Polyolefin resin and an elastomer ADVANCED ELASTOMER SYSTEMS, L. P. (US) 1992-03-31 US disclosed
WO-1991018050-A1 HOSE COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1991-11-28 WO disclosed
EP-0404351-A2 Dynamically vulcanized alloys having improved stiffness/impact balance Advanced Elastomer Systems, L.P. (US) 1990-12-27 EP disclosed