SCHEMBL4276017

SCHEMBL4276017

CCCCOc1cc(OCCCC)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2D6 P10635 5/20 0.41
CYP19A1 P11511 4/20 0.41
CYP1A2 P05177 3/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39

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
SCHEMBL4275159 0.90 GABRP (0.37) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL31372458 0.81 CYP2C9 (0.45) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL22322109 0.75 CYP1A2 (0.38) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL10495807 0.74 TSHR (0.40) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL3217260 0.72 ALPL (0.64) LMNAL3MBTL1POLBGAAMAPT
SCHEMBL11708574 0.70 LMNA (0.47) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL18780938 0.69 GAA (0.41) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL4075899 0.69 HSD17B10 (0.41) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2
SCHEMBL31548577 0.69 GABRP (0.44) CYP2C9CYP2C19CYP2D6CYP1A2GABRP
SCHEMBL4272939 0.68 CYP2C9 (0.42) CYP2C9CYP2C19CYP2D6CYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 US disclosed