SCHEMBL7736557

SCHEMBL7736557

Cc1ccc(C(=O)O)c(F)c1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.40
RARA P10276 5/20 0.40
RARG P13631 5/20 0.40
KMO O15229 2/20 0.39
AKR1C2 P52895 3/20 0.39
AKR1C1 Q04828 2/20 0.39
MCL1 Q07820 2/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
AKR1C3 P42330 2/20 0.38
MYC P01106 1/20 0.38
ADRA2A P08913 1/20 0.38
CLCN2 P51788 1/20 0.38
DHODH Q02127 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
RXRG P48443 1/20 0.36
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL27967750 0.83 FABP4 (0.50) AKR1C2AKR1C1MCL1MYCDHODH
SCHEMBL7736036 0.81 RARB (0.43) RARBRARARARGAKR1C2AKR1C1
SCHEMBL7737091 0.77 RARB (0.46) RARBRARARARGAKR1C2AKR1C1
SCHEMBL7737127 0.76 RARB (0.45) RARBRARARARGMCL1RXRA
SCHEMBL7737301 0.75 NOTUM (0.37) KMODHODH
SCHEMBL489533 0.74 HPGD (0.55) MCL1RXRARXRBMYCADRA2A
SCHEMBL7736415 0.73 NOTUM (0.41) RARBRARARARGAKR1C2AKR1C1
SCHEMBL7736417 0.73 NOTUM (0.41) RARBRARARARGAKR1C2AKR1C1
SCHEMBL4728958 0.73 KDM4E (0.46) RXRARXRBMYCADRA2ACLCN2
SCHEMBL7739027 0.73 RXRA (0.36) RARBRARARARGAKR1C2AKR1C1

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 4 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
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed