SCHEMBL8454802

SCHEMBL8454802

C=CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3cc(F)c(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL8451071 0.97 GRM2 (0.31) GRM2
SCHEMBL8451821 0.93
SCHEMBL8447787 0.88 ESR2 (0.30) ESR2GRM2
SCHEMBL8450049 0.88 ESR2 (0.30) ESR2GRM2
SCHEMBL8450776 0.88 ESR2 (0.32) ESR2
SCHEMBL13002308 0.87 ESR2 (0.31) ESR2GRM2
SCHEMBL8452041 0.87 ESR2 (0.31) ESR2GRM2
SCHEMBL8454127 0.86
SCHEMBL8451816 0.85
SCHEMBL8454226 0.85 SGPL1 (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647696-B1 Cyclohexane derivative CHISSO CORP (JP) 1999-04-21 EP disclosed
EP-0647696-A1 Cyclohexane derivative Chisso Corporation (JP) 1995-04-12 EP disclosed
US-5382379-A Cyclohexane derivative CHISSO CORPORATION (JP) 1995-01-17 US disclosed