SCHEMBL16807122

SCHEMBL16807122

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.47
ALDH1A1 P00352 2/20 0.42
RARA P10276 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
BCHE P06276 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
RARG P13631 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
SCHEMBL16807118 0.99 RARB (0.49) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807115 0.97 RARB (0.50) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807117 0.96 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807133 0.96 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807128 0.96 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807116 0.96 RARB (0.45) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807078 0.96 RARB (0.49) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807105 0.94 ALOX5 (0.48) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807088 0.94 RARB (0.50) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807121 0.94 RARB (0.50) RARBALDH1A1RARAMEN1MAPT

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