SCHEMBL16807155

SCHEMBL16807155

CCCCCCc1ccc(-c2ccc(-c3ccc(CCO)cc3)c(CC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.53
ALDH1A1 P00352 3/20 0.52
RARA P10276 2/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MTOR P42345 1/20 0.52
RARG P13631 1/20 0.52
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
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
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 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
SCHEMBL15829720 0.99 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807157 0.94 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807154 0.94 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807158 0.94 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807146 0.94 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807100 0.94 RARB (0.53) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807147 0.94 RARB (0.50) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807132 0.93 RARB (0.52) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807150 0.93 RARB (0.51) RARBALDH1A1RARAMEN1MAPT
SCHEMBL16807151 0.93 RARB (0.51) 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