SCHEMBL7643271

SCHEMBL7643271

Cc1ccc(CC([O])Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 1/20 0.40
AGXT P21549 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL8566384 0.82 IDO1 (0.46) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL9790105 0.80 IDO1 (0.44) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL29018029 0.80 IDO1 (0.44) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL6425532 0.78 IDO1 (0.42) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL6832904 0.78 IDO1 (0.42) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL31635698 0.76 ACACB (0.45) TDP1ACACBPPARGPPARAFFAR1
SCHEMBL6204601 0.75 PKM (0.41) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL196656 0.74 PTGS1 (0.48) IDO1CYP1A2CYP2A6TAAR1ACHE
SCHEMBL10514103 0.74 EPHX1 (0.52) CYP1A2CYP2A6TAAR1ALDH1A1
SCHEMBL5496261 0.74 PTGS1 (0.48) IDO1CYP1A2CYP2A6TAAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852604-B1 A POLYPHENYLENE OXIDE DELIVERY SYSTEM FOR ADHESIVE COMPOSITIONS ARIZONA CHEM (US) 2002-04-10 EP disclosed
US-5910526-A HEATING AND MIXING PREBLEND COMPRISING A POLYPHENYLENE ETHER AND B-BLOCK COMPATIBLE RESIN TOGETHER WITH STYRENIC-CONJUGATED DIENE-STRYRENIC-A-B-A BLOCK POLYMER; HIGHER TEMPERAURE HOT MELT ADHESIVES ARIZONA CHEMICAL COMPANY (US) 1999-06-08 US disclosed
US-5807915-A HEAT RESISTANCE ARIZONA CHEMICAL COMPANY (US) 1998-09-15 US disclosed
EP-0852604-A4 1998-08-26 EP disclosed
US-5789474-A HOT MELT ADHESIVE ARIZONA CHEMICAL COMPANY (US) 1998-08-04 US disclosed
EP-0852604-A1 A POLYPHENYLENE OXIDE DELIVERY SYSTEM FOR ADHESIVE COMPOSITIONS ARIZONA CHEMICAL COMPANY (US) 1998-07-15 EP disclosed
WO-1997011997-A1 A POLYPHENYLENE OXIDE DELIVERY SYSTEM FOR ADHESIVE COMPOSITIONS ARIZONA CHEMICAL COMPANY (US) 1997-04-03 WO disclosed
EP-0067217-A4 COMPOSITIONS OF POLYPHENYLENE OXIDES WITH EPDM-SILICONE RUBBER. GEN ELECTRIC (US) 1983-05-16 EP disclosed
EP-0067217-A1 COMPOSITIONS OF POLYPHENYLENE OXIDES WITH EPDM-SILICONE RUBBER GENERAL ELECTRIC COMPANY (US) 1982-12-22 EP disclosed
US-4365042-A Compositions of polyphenylene oxides with EPDM-silicone rubber GENERAL ELECTRIC COMPANY (US) 1982-12-21 US disclosed
WO-1982002204-A1 COMPOSITIONS OF POLYPHENYLENE OXIDES WITH EPDM-SILICONE RUBBER GEN ELECTRIC (US) 1982-07-08 WO disclosed