SCHEMBL612609

SCHEMBL612609

C=C(C)c1cc(C2CCCN2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MKNK1 Q9BUB5 1/20 0.41
CHRM2 P08172 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL614301 0.83
SCHEMBL3333762 0.79 L3MBTL1 (0.53) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL614331 0.77 HTR3A (0.45) CYP2D6
SCHEMBL17114332 0.74 L3MBTL1 (0.47) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL17114331 0.74 L3MBTL1 (0.47) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL24366094 0.74 L3MBTL1 (0.44) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL614098 0.73 POLB (0.43) CHRNB2CHRNA4POLB
SCHEMBL16610709 0.73 MEN1 (0.52) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL167407 0.72 L3MBTL1 (0.49) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL21225275 0.72 L3MBTL1 (0.49) L3MBTL1MKNK1CHRM2CHRM4CHRM5

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-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 US disclosed
US-20120041135-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed