SCHEMBL14766408

SCHEMBL14766408

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.42
RARA P10276 1/20 0.42
S1PR1 P21453 1/20 0.42
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
PTPN11 Q06124 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14766452 0.97 RARB (0.42) RARBRARAS1PR1FAAHALDH1A1
SCHEMBL14766216 0.95 MAPT (0.42) S1PR1ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL14767205 0.93 ALDH1A1 (0.44) RARBALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL14766619 0.93 ALDH1A1 (0.44) RARBALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL14766121 0.93 RARB (0.47) RARBRARAS1PR1FAAHMAPT
SCHEMBL14767168 0.92 MAPT (0.42) RARBRARAFAAHALDH1A1L3MBTL1
SCHEMBL14766899 0.91 S1PR1 (0.43) RARBS1PR1FAAHALDH1A1L3MBTL1
SCHEMBL14767225 0.91 FAAH (0.44) RARBS1PR1FAAHALDH1A1L3MBTL1
SCHEMBL14766032 0.91 RARB (0.46) RARBRARAS1PR1FAAHMAPT
SCHEMBL14767300 0.90 ALDH1A1 (0.44) RARBRARAFAAHALDH1A1L3MBTL1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed