SCHEMBL14767250

SCHEMBL14767250

C=CCCOc1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
JAK1 P23458 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL14766194 1.00 HPGD (0.35) HPGDJAK1FFAR4FFAR1PPARD
SCHEMBL14767075 0.95 SCN9A (0.34) HPGDFFAR4FFAR1PPARD
SCHEMBL14766294 0.95 SCN9A (0.34) HPGDFFAR4FFAR1PPARD
SCHEMBL14767253 0.92 ALDH1A1 (0.35) HPGDFFAR4FFAR1PPARDKMT2A
SCHEMBL14766178 0.92 ALDH1A1 (0.35) HPGDFFAR4FFAR1PPARDKMT2A
SCHEMBL14767183 0.92 FFAR1 (0.36) HPGDJAK1FFAR4FFAR1PPARD
SCHEMBL14766819 0.92 FFAR1 (0.38) HPGDJAK1FFAR4FFAR1PPARD
SCHEMBL12742300 0.91 ALOX5AP (0.33) HPGDFFAR4ALOX5APFEN1
SCHEMBL14766661 0.91 JAK1 (0.36) HPGDJAK1FFAR4FFAR1USP2
SCHEMBL12737303 0.91 ALOX5AP (0.33) HPGDFFAR4ALOX5APFEN1

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