SCHEMBL8450453

SCHEMBL8450453

C/C=C/CC[C@H]1CC[C@H](c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8447499 1.00 ESR2 (0.31) ESR2CYP2C9
SCHEMBL8451756 1.00 ESR2 (0.31) ESR2CYP2C9
SCHEMBL8453016 0.98 ESR2 (0.30) ESR2
SCHEMBL8451027 0.96
SCHEMBL8446719 0.90 S1PR1 (0.33)
SCHEMBL8447790 0.90 S1PR1 (0.35)
SCHEMBL8447672 0.89 S1PR1 (0.34)
SCHEMBL16521128 0.89
SCHEMBL8446766 0.88 S1PR1 (0.32)
SCHEMBL8450487 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382379-A Cyclohexane derivative CHISSO CORPORATION (JP) 1995-01-17 US claimed
JP-6211711-A None JP disclosed
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
JP-H06211711-A DERIVATIVE OF CYCLOHEXANE CHISSO CORP 1994-08-02 JP disclosed