SCHEMBL16807147

SCHEMBL16807147

CCCCc1ccc(-c2ccc(-c3ccc(CCO)cc3)c(CC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.50
RARA P10276 2/20 0.45
RARG P13631 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MPL P40238 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL15829720 0.95 RARB (0.51) RARBRARARARGALDH1A1MEN1
SCHEMBL16807155 0.94 RARB (0.53) RARBRARARARGALDH1A1MEN1
SCHEMBL16807092 0.94 RARB (0.50) RARBRARARARGALDH1A1MEN1
SCHEMBL16807148 0.94 RARB (0.50) RARBRARARARGALDH1A1MEN1
SCHEMBL16807144 0.93 RARB (0.49) RARBRARARARGALDH1A1MEN1
SCHEMBL16807119 0.93 RARB (0.45) RARBRARARARGALDH1A1MEN1
SCHEMBL16807149 0.91 RARB (0.50) RARBRARARARGALDH1A1MEN1
SCHEMBL16807153 0.91 RARB (0.50) RARBRARARARGALDH1A1MEN1
SCHEMBL16807136 0.91 MCL1 (0.48) RARBRARARARGCA2
SCHEMBL16807077 0.90 RARB (0.51) RARBRARARARGALDH1A1MEN1

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