SCHEMBL14767200

SCHEMBL14767200

CCCCOc1ccc(-c2ccc(-c3ccc(OC(=O)c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.43
RARA P10276 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
FAAH O00519 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN11 Q06124 2/20 0.41
TSHR P16473 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 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
SCHEMBL14766096 1.00 RARB (0.43) RARBRARAFFAR1FFAR4LMNA
SCHEMBL14766713 0.97 RARB (0.44) RARBRARAFFAR1FFAR4LMNA
SCHEMBL14766670 0.97 RARB (0.44) RARBRARAFFAR1FFAR4LMNA
SCHEMBL14766609 0.94 RARB (0.42) RARBRARAFFAR1FFAR4LMNA
SCHEMBL14767201 0.94 RARB (0.42) RARBRARAFFAR1FFAR4LMNA
SCHEMBL14766302 0.93 MAPT (0.41) FFAR1FFAR4LMNAMAPTTHRB
SCHEMBL14767278 0.93 MAPT (0.41) FFAR1FFAR4LMNAMAPTTHRB
SCHEMBL14766098 0.92 RARB (0.51) RARBRARAFFAR1FFAR4LMNA
SCHEMBL12738133 0.90 PTPN11 (0.38) RARBRARAFFAR1FFAR4LMNA
SCHEMBL12741778 0.90 PTPN11 (0.38) RARBRARAFFAR1FFAR4LMNA

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