SCHEMBL7736071

SCHEMBL7736071

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ACMSD Q8TDX5 2/20 0.41
RARB P10826 3/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
CFB P00751 1/20 0.39
DHODH Q02127 4/20 0.38
STAT3 P40763 1/20 0.38
ACLY P53396 1/20 0.37
NOTUM Q6P988 1/20 0.37
ESR2 Q92731 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL7736072 1.00 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8066406 0.99 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8066411 0.99 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9827929 0.99 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10524705 0.99 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10782844 0.96 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10782847 0.96 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7028128 0.96 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8387294 0.96 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8104563 0.91 RARB (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1

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 8 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
EP-0446911-A1 Fluorobenzene derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed