SCHEMBL7735680

SCHEMBL7735680

CCC[C@H]1CC[C@H](c2ccc(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
DGAT1 O75907 1/20 0.36
RARG P13631 1/20 0.36
OPRL1 P41146 7/20 0.35
CAMKK1 Q8N5S9 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
NFE2L2 Q16236 3/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL7735684 1.00 CYP2C9 (0.38) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7737188 0.97 CYP2C9 (0.36) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7737191 0.97 CYP2C9 (0.36) CYP2C9NOTUMALDH1A1LMNAMAPT
SCHEMBL7736709 0.93 RARB (0.40) NOTUMMAPTRARBRARADGAT1
SCHEMBL7736707 0.93 RARB (0.40) NOTUMMAPTRARBRARADGAT1
SCHEMBL7738945 0.92 RARB (0.41) NOTUMMAPTRARBRARADGAT1
SCHEMBL7736457 0.92 RARB (0.41) NOTUMMAPTRARBRARADGAT1
SCHEMBL7738950 0.91 RARB (0.43) NOTUMMAPTRARBRARADGAT1
SCHEMBL7738991 0.91 RARB (0.43) NOTUMMAPTRARBRARADGAT1
SCHEMBL7728599 0.91 RARB (0.43) NOTUMMAPTRARBRARADGAT1

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