SCHEMBL8711396

SCHEMBL8711396

CCCCc1noc(-c2ccc(C=CC(=O)NCC3CCCC3(CC)CC)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
HDAC1 Q13547 5/20 0.36
HPGD P15428 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SELP P16109 2/20 0.34
SELE P16581 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL7215007 0.91 SPHK1 (0.42) SPHK1HDAC1HPGDCHRM2CHRM4
SCHEMBL7215002 0.91 SPHK1 (0.42) SPHK1HDAC1HPGDCHRM2CHRM4
SCHEMBL7218632 0.66 SPHK1 (0.46) SPHK1HPGDKDM4EALDH1A1RAB9A
SCHEMBL7219294 0.65 HPGD (0.45) HDAC1HPGDKDM4EALDH1A1RAB9A
SCHEMBL7219298 0.65 HPGD (0.45) HDAC1HPGDKDM4EALDH1A1RAB9A
SCHEMBL7214906 0.65 ALDH1A1 (0.57) SPHK1HPGDCHRM2CHRM4CHRM5
SCHEMBL7214955 0.64 MAPT (0.55) SPHK1HPGDCHRM2CHRM4CHRM5
SCHEMBL1856548 0.64 ALDH1A1 (0.56) SPHK1HPGDCHRM2CHRM4CHRM5
SCHEMBL1312815 0.64 ALDH1A1 (0.56) SPHK1HPGDCHRM2CHRM4CHRM5
SCHEMBL1858866 0.64 ALDH1A1 (0.56) SPHK1HPGDCHRM2CHRM4CHRM5

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
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO disclosed