SCHEMBL7562011

SCHEMBL7562011

CCCOc1ccccc1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATM Q13315 2/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 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
SCHEMBL6427364 0.90 CYP1A2 (0.56) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL5805893 0.87 MAPT (0.51) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL19896311 0.87 MAPT (0.51) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL7885446 0.83 L3MBTL1 (0.46) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL3149687 0.83 L3MBTL1 (0.60) MAPTL3MBTL1NPSR1ATMCYP1A2
SCHEMBL5420692 0.83 L3MBTL1 (0.71) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL8551628 0.83 L3MBTL1 (0.46) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL19167176 0.82 L3MBTL1 (0.50) MAPTL3MBTL1NPSR1ATMHPGD
SCHEMBL2908416 0.82 L3MBTL1 (0.58) MAPTL3MBTL1NPSR1ATMCYP1A2
SCHEMBL74512 0.82 PPARD (0.54) MAPTL3MBTL1NPSR1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0710235-A4 1996-06-12 EP disclosed
EP-0710235-A1 ENDOTHELIN ANTAGONISTS MERCK & CO. INC. (US) 1996-05-08 EP disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
EP-0234683-B1 ALPHA-(2-ALKOXYPHENYL)-ALPHA-ALKYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1991-04-17 EP disclosed
US-4895865-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1990-01-23 US disclosed
EP-0234683-A1 Alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles and derivatives ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed