SCHEMBL3172124

SCHEMBL3172124

C=CCCc1ccc(-c2cc(F)c(-c3ccc4cc(OC(F)(F)F)ccc4c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.36
DAO P14920 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
SLC13A5 Q86YT5 1/20 0.34
CYP2C9 P11712 1/20 0.34
CACNA1C Q13936 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
BRD4 O60885 1/20 0.33
CNR1 P21554 1/20 0.33
CHRM5 P08912 5/20 0.32
PPARA Q07869 1/20 0.32
GRM2 Q14416 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PRMT6 Q96LA8 1/20 0.31
GCGR P47871 1/20 0.31
GIPR P48546 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3170330 0.93 ESR1 (0.36) GPR84DAOFFAR1FFAR4CYP2C9
SCHEMBL3165104 0.89 SLC13A5 (0.40) GPR84DAOFFAR1FFAR4SLC13A5
SCHEMBL3158360 0.88 GPR84 (0.36) GPR84DAOFFAR1FFAR4CYP2C9
SCHEMBL3159733 0.87 ALOX5AP (0.42) GPR84FFAR1FFAR4SLC13A5CYP2C9
SCHEMBL3170969 0.84 DAO (0.36) GPR84DAOFFAR1FFAR4SLC13A5
SCHEMBL3165574 0.84 CTSK (0.33) FFAR1FFAR4ESR1ESR2
SCHEMBL13464104 0.84 FFAR4 (0.39) GPR84DAOFFAR1FFAR4CYP2C9
SCHEMBL3168525 0.84 ESR1 (0.31) ESR1ESR2
SCHEMBL3166752 0.83 GRM2 (0.41) FFAR1FFAR4SLC13A5CYP2C9CACNA1C
SCHEMBL3165054 0.83 ESR1 (0.30) ESR1ESR2

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 7 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-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 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