SCHEMBL7539963

SCHEMBL7539963

C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CCCCCCCC2CCCCC12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL5515063 0.83 CYP1A2 (0.37) CHRNB2CHRNA7CHRNA4
SCHEMBL24311127 0.77 SIGMAR1 (0.53) TSHR
SCHEMBL8651869 0.76 CHRNB2 (0.31) CHRNB2CHRNA7CHRNA4
SCHEMBL8370406 0.74 CHRNB2 (0.30) CHRNB2CHRNA7CHRNA4
SCHEMBL29336691 0.74 SIGMAR1 (0.50)
SCHEMBL2996217 0.74 SIGMAR1 (0.45)
SCHEMBL9801592 0.74 SIGMAR1 (0.54) TSHR
SCHEMBL28815681 0.74 SIGMAR1 (0.54) TSHR
SCHEMBL1162323 0.74 SIGMAR1 (0.54) TSHR
SCHEMBL11133777 0.73 CYP1A2 (0.41) CHRNB2CHRNA7CHRNA4

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-20020197732-A1 Method and apparatus for combinatorial screening of polymer compositions GENERAL ELECTRIC COMPANY 2002-12-26 US disclosed
US-4399251-A HEAT RESISTANCE; NONHYDROLYZING; INJECTION MOLDING GENERAL ELECTRIC COMPANY (US) 1983-08-16 US disclosed