SCHEMBL7736731

SCHEMBL7736731

CCCCC[C@H]1CC[C@H](c2cc(F)c(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CCR2 P41597 1/20 0.33
SCN9A Q15858 1/20 0.33
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 2/20 0.32
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL7736735 1.00 OPRL1 (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7737253 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736763 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736211 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736463 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7737255 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736214 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736465 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736800 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2
SCHEMBL7736761 0.99 RARB (0.34) OPRL1MAPTMEN1KMT2ACCR2

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-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed
EP-0808886-A1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed