SCHEMBL7738973

SCHEMBL7738973

C=CCC1CCC(c2ccc(-c3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.41
CYP11B2 P19099 17/20 0.41
EGLN2 Q96KS0 1/20 0.39
CTSC P53634 1/20 0.36
KDM1A O60341 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
SCHEMBL7738967 1.00 CYP11B1 (0.41) CYP11B1CYP11B2EGLN2CTSCKDM1A
SCHEMBL7723382 0.90 TRPV4 (0.37) CYP11B1CYP11B2EGLN2KDM1A
SCHEMBL7723378 0.90 TRPV4 (0.37) CYP11B1CYP11B2EGLN2KDM1A
SCHEMBL9342749 0.89 EGLN2 (0.39) CYP11B1CYP11B2EGLN2KDM1A
SCHEMBL8835062 0.89 CYP11B1 (0.38) CYP11B1CYP11B2EGLN2CTSC
SCHEMBL9478054 0.88 CYP11B1 (0.41) CYP11B1CYP11B2EGLN2CTSCKDM1A
SCHEMBL9478044 0.88 CYP11B1 (0.41) CYP11B1CYP11B2EGLN2CTSCKDM1A
SCHEMBL9478060 0.88 CYP11B1 (0.41) CYP11B1CYP11B2EGLN2CTSCKDM1A
SCHEMBL9478050 0.88 CYP11B1 (0.41) CYP11B1CYP11B2EGLN2CTSCKDM1A
SCHEMBL7739037 0.86 TRPV4 (0.35) CYP11B1CYP11B2EGLN2KDM1A

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