SCHEMBL6232128

SCHEMBL6232128

CCc1ccc(-c2cccc3c2C(C2CCCCC2C2=C(C4CCCC4)[CH]c4cccc(-c5ccc(CC)cc5)c42)=C(C2CCCC2)[CH]3)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
BRS3 P32247 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6231375 0.72 BRD4 (0.32) PTAFRCHRM3
SCHEMBL27816380 0.68 PTGS2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6232855 0.68 NPC1 (0.39) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL6232864 0.68 BRD4 (0.32) BRS3
SCHEMBL6229299 0.67 NPC1 (0.36) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL7106833 0.67 S1PR1 (0.39)
SCHEMBL5689152 0.66 EDNRB (0.35) PTAFREDNRBEDNRAKDM4ENPC1
SCHEMBL6235387 0.65 ABL1 (0.35) NPC1RAB9A
SCHEMBL21609920 0.64 CYP3A4 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27816378 0.63 PTAFR (0.36) PTAFRCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313747-B1 METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2005-04-20 EP disclosed