SCHEMBL14766396

SCHEMBL14766396

CCCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.51
RARA P10276 1/20 0.51
S1PR1 P21453 1/20 0.41
FAAH O00519 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
MCL1 Q07820 1/20 0.40
PTPN11 Q06124 3/20 0.39
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARD Q03181 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL14766630 0.98 RARB (0.53) RARBRARAS1PR1FAAHMCL1
SCHEMBL14766098 0.94 RARB (0.51) RARBRARAS1PR1FAAHMCL1
SCHEMBL12738200 0.92 RARB (0.46) RARBRARAS1PR1FAAHMCL1
SCHEMBL14766395 0.91 RARB (0.46) RARBRARAS1PR1FAAHADRB1
SCHEMBL14766393 0.91 RARB (0.46) RARBRARAS1PR1FAAHADRB1
SCHEMBL14766609 0.91 RARB (0.42) RARBRARAFAAHMCL1PTPN11
SCHEMBL14767201 0.91 RARB (0.42) RARBRARAFAAHMCL1PTPN11
SCHEMBL12738206 0.90 RARB (0.44) RARBRARAS1PR1MCL1PTPN11
SCHEMBL12738204 0.89 RARB (0.44) RARBRARAS1PR1PTPN11NPC1
SCHEMBL12738210 0.89 RARB (0.44) RARBRARAS1PR1PTPN11NPC1

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