SCHEMBL16807127

SCHEMBL16807127

CCCCCCc1ccc(-c2ccc(-c3ccc(CO)cc3CC)cc2CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.53
ALDH1A1 P00352 2/20 0.49
RARA P10276 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL16807120 0.99 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807102 0.96 RARB (0.54) RARBALDH1A1RARAMEN1MAPT
SCHEMBL15725327 0.96 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807083 0.94 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807123 0.94 RARB (0.46) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807156 0.91 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807125 0.90 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807132 0.90 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807117 0.90 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807128 0.90 RARB (0.52) 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 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