SCHEMBL13722754

SCHEMBL13722754

CCCCCCc1ccc(-c2ccc(-c3cc(CC(=O)OC)c(-c4ccc(-c5ccc(CCCCCC)cc5)s4)cc3COOC)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.39
RARA P10276 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
SMPD1 P17405 2/20 0.37
RARG P13631 1/20 0.36
ICMT O60725 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 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
SCHEMBL13723385 0.86 HPGD (0.38) ALDH1A1MEN1KMT2AICMT
SCHEMBL13723211 0.82 HPGD (0.36) ALDH1A1MEN1MAPTKMT2AICMT
SCHEMBL12712170 0.76 RARB (0.37) RARBRARAALDH1A1MEN1MAPT
SCHEMBL13723831 0.72 RARB (0.57) RARBRARAALDH1A1MEN1MAPT
SCHEMBL6418801 0.71 HSD17B10 (0.55) RARBRARAALDH1A1MEN1MAPT
SCHEMBL2466020 0.71 HSD17B10 (0.55) RARBRARAALDH1A1MEN1MAPT
SCHEMBL8984270 0.70 ESR1 (0.71) RARBRARAALDH1A1MEN1MAPT
SCHEMBL23167611 0.70 ALDH1A1 (0.64) RARBRARAALDH1A1MEN1MAPT
SCHEMBL26239688 0.70 ALDH1A1 (0.64) RARBRARAALDH1A1MEN1MAPT
SCHEMBL6418550 0.70 HSD17B10 (0.57) RARBRARAALDH1A1MEN1MAPT

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-2009099070-A1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 WO disclosed