SCHEMBL7736727

SCHEMBL7736727

CCCCCCCCCCC1CCC(C2CCC(c3cc(F)c(C(=O)O)c(F)c3-c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
OPRL1 P41146 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CCR2 P41597 1/20 0.31
GAA P10253 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
SCN9A Q15858 1/20 0.31
HTT P42858 1/20 0.31
SMPD1 P17405 1/20 0.31
PLK1 P53350 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7737140 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7738940 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7736044 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7736723 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7736534 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7736537 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7737145 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7738937 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7736042 1.00 RARB (0.33) RARBRARARARGOPRL1TP53
SCHEMBL7737151 0.99 OPRL1 (0.33) RARBRARARARGOPRL1TP53

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
US-6468606-B1 LOW VISCOSITY, HIGH DIELECTRIC ANISOTROPY, LOW OPTICAL ANISOTROPY, EXCELLENT LOW TEMPERATURE COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS; 3,4,5-TRIFLUOROPHENYL-(2-FLUORO-4-(TRANS-4-PROPYLCYCLOHEXYL))BENZOATE CHISSO CORPORATION (JP) 2002-10-22 US disclosed
EP-0808825-B1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0808886-B1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORP (JP) 2000-08-23 EP disclosed
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
US-5855814-A Liquid crystal compositions and liquid crystal display elements CHISSO CORPORATION (JP) 1999-01-05 US disclosed
EP-0808886-A1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed