SCHEMBL4951389

SCHEMBL4951389

C#Cc1cccc(CC)c1C#C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
FFAR1 O14842 1/20 0.31
PDK2 Q15119 1/20 0.31
MGLL Q99685 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 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
SCHEMBL16954864 0.86 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL4949097 0.84 CYP2E1 (0.32) GABRA1GABRB2
SCHEMBL4952215 0.81 LIPG (0.36) KCNH2
SCHEMBL29456692 0.80 GABRA1 (0.46) GABRA1GABRB2FFAR1MGLL
SCHEMBL4953056 0.80 GABRA1 (0.46) GABRA1GABRB2FFAR1MGLL
SCHEMBL8950372 0.79 TDP1 (0.31)
SCHEMBL1514985 0.77 CYP1A1 (0.32) BRD4CREBBP
SCHEMBL2910051 0.75 GABRA1 (0.41) GABRA1GABRB2FFAR1MGLL
SCHEMBL16957408 0.75 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL6562962 0.75

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 4 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
US-3933957-A Process for producing shaped articles from an acetylenic polymer GENERAL ELECTRIC COMPANY (US) 1976-01-20 US disclosed