SCHEMBL16807131

SCHEMBL16807131

CCc1cc(-c2ccc(C)cc2)ccc1-c1ccc(CCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.42
FFAR4 Q5NUL3 6/20 0.41
FFAR1 O14842 5/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
BACE1 P56817 1/20 0.39
CYP4A11 Q02928 1/20 0.39
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FDFT1 P37268 1/20 0.37

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
SCHEMBL16807134 0.96 RARB (0.44) RARBFFAR4FFAR1IGF1RALOX15
SCHEMBL16807126 0.94 RARB (0.46) RARBFFAR4FFAR1IGF1RALOX15
SCHEMBL16807072 0.93 BACE1 (0.43) RARBFFAR4FFAR1IGF1RALOX15
SCHEMBL16807094 0.91 BACE1 (0.42) RARBFFAR4FFAR1IGF1RALOX15
SCHEMBL16807143 0.91 CYP4A11 (0.44) RARBCYP4A11RARARARG
SCHEMBL16807129 0.91 FFAR1 (0.43) RARBFFAR4FFAR1BACE1CYP4A11
SCHEMBL16807148 0.90 RARB (0.50) RARBRARARARG
SCHEMBL16807142 0.90 MCL1 (0.46) RARBCYP4A11RARARARG
SCHEMBL16807151 0.88 RARB (0.51) RARBRARARARGKDM4E
SCHEMBL16807070 0.88 IGF1R (0.44) RARBFFAR4FFAR1IGF1RALOX15

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