SCHEMBL16807138

SCHEMBL16807138

CCCc1ccc(-c2ccc(-c3ccc(CCCCO)cc3)c(CC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.45
MCL1 Q07820 1/20 0.44
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CA2 P00918 2/20 0.40
BCHE P06276 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16807137 0.99 RARB (0.47) RARBMCL1RARARARGMEN1
SCHEMBL16807142 0.95 MCL1 (0.46) RARBMCL1RARARARGMEN1
SCHEMBL16807150 0.94 RARB (0.51) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807144 0.94 RARB (0.49) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807073 0.94 RARB (0.45) RARBMCL1RARARARGMEN1
SCHEMBL16807063 0.93 RARB (0.47) RARBMCL1RARARARGMEN1
SCHEMBL16807105 0.93 ALOX5 (0.48) RARBMCL1RARARARGMEN1
SCHEMBL16807149 0.93 RARB (0.50) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807146 0.93 RARB (0.53) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807158 0.93 RARB (0.53) RARBRARARARGMEN1ALDH1A1

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
US-20150166890-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-18 US disclosed