SCHEMBL16807142

SCHEMBL16807142

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
ALOX5 P09917 2/20 0.43
RARB P10826 11/20 0.43
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4A11 Q02928 1/20 0.40
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 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
SCHEMBL16807138 0.95 RARB (0.45) MCL1ALOX5RARBRARARARG
SCHEMBL16807137 0.94 RARB (0.47) MCL1ALOX5RARBRARARARG
SCHEMBL16807148 0.94 RARB (0.50) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807075 0.94 ALOX5 (0.43) MCL1ALOX5RARBRARARARG
SCHEMBL16807107 0.93 ALOX5 (0.49) MCL1ALOX5RARBRARAMEN1
SCHEMBL16807151 0.93 RARB (0.51) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807143 0.92 CYP4A11 (0.44) MCL1RARBRARARARGMEN1
SCHEMBL16807154 0.91 RARB (0.53) RARBRARARARGMEN1ALDH1A1
SCHEMBL16807136 0.91 MCL1 (0.48) MCL1ALOX5RARBRARARARG
SCHEMBL16807073 0.90 RARB (0.45) MCL1ALOX5RARBRARARARG

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