SCHEMBL16807116

SCHEMBL16807116

CCCCc1ccc(-c2ccc(-c3ccc(CCCO)cc3CC)cc2CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.45
ALOX5 P09917 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SKP2 Q13309 1/20 0.41
MEN1 O00255 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
MPL P40238 2/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PLK1 P53350 1/20 0.39
CTRC Q99895 1/20 0.39

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
SCHEMBL16807121 0.96 RARB (0.50) RARBALOX5GPR84ALDH1A1HSD17B10
SCHEMBL16807122 0.96 RARB (0.47) RARBALOX5GPR84ALDH1A1HPGD
SCHEMBL16807090 0.95 RARB (0.50) RARBGPR84ALDH1A1HPGDHSD17B10
SCHEMBL16807125 0.94 RARB (0.52) RARBALDH1A1HSD17B10MEN1RARA
SCHEMBL16807118 0.94 RARB (0.49) RARBALDH1A1HSD17B10MEN1RARA
SCHEMBL16807107 0.94 ALOX5 (0.49) RARBALOX5GPR84ALDH1A1MEN1
SCHEMBL16807119 0.94 RARB (0.45) RARBALOX5GPR84ALDH1A1HPGD
SCHEMBL16807115 0.93 RARB (0.50) RARBALOX5GPR84ALDH1A1HSD17B10
SCHEMBL16807148 0.93 RARB (0.50) RARBGPR84ALDH1A1HPGDHSD17B10
SCHEMBL16807128 0.92 RARB (0.52) RARBALDH1A1HSD17B10MEN1RARA

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