SCHEMBL4949097

SCHEMBL4949097

C#Cc1cccc(CCC)c1C#C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
DAO P14920 1/20 0.32
GRM5 P41594 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL4952215 0.89 LIPG (0.36) CYP2D6CYP2C9
SCHEMBL16955542 0.87
SCHEMBL4951389 0.84 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL2746384 0.82 FFAR1 (0.39) CYP2D6CYP2C9CYP2C19GRM5
SCHEMBL2152995 0.82 CYP2E1 (0.38) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL24767383 0.79 CTSL (0.33) CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9
SCHEMBL16956454 0.77 DAO (0.33) DAOGABRA1GABRB2HTR1A
SCHEMBL16951205 0.75 MITF (0.33) DAOGABRA1GABRB2HTR1A
SCHEMBL28742995 0.74 CLCN2 (0.42)
SCHEMBL27518648 0.74 BID (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439315-B2 Polymer film and method for producing the same NEC CORPORATION (JP) 2008-10-21 US disclosed
US-20060052560-A1 Polymer film and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-09 US disclosed
US-20050059788-A1 Supplying raw material gas containing acetylenic compound in chamber under low pressure; activation of gas in plasma generated reaction chamber, depositing on surface of semiconductor; addition polymerization; high mechanical strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-17 US disclosed