SCHEMBL3167976

SCHEMBL3167976

CCCCc1ccc(C#Cc2ccc3cc(OC(F)(F)F)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
ACACB O00763 4/20 0.42
PCSK9 Q8NBP7 1/20 0.39
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PLAU P00749 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
GRM5 P41594 1/20 0.38
FAAH O00519 1/20 0.36
PTPN11 Q06124 1/20 0.36
PTPRO Q16827 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
BCHE P06276 2/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL3163085 0.96 FFAR1 (0.49) FFAR1ACACBPCSK9ALOX5PPARG
SCHEMBL3168019 0.92 FFAR1 (0.52) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL9509445 0.89 ACACB (0.50) FFAR1ACACBALOX5PPARGFAAH
SCHEMBL3173651 0.88 FFAR1 (0.39) FFAR1ACACBPCSK9ALOX5PPARG
SCHEMBL3162508 0.88 FFAR1 (0.49) FFAR1ACACBPLAUASIC3GRM5
SCHEMBL3172522 0.87 FFAR1 (0.39) FFAR1ACACBPCSK9ALOX5PPARG
SCHEMBL3960576 0.85 PLAU (0.40) FFAR1ACACBPLAUASIC3PTPN11
SCHEMBL8771479 0.85 ACACB (0.49) FFAR1ACACBFAAHTSHRTHRB
SCHEMBL3163669 0.84 FFAR1 (0.38) FFAR1ACACBPCSK9ALOX5PPARG
SCHEMBL3167602 0.84 FFAR1 (0.39) FFAR1ACACBPCSK9ALOX5PPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-0952135-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2005-01-05 EP disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed