SCHEMBL8453038

SCHEMBL8453038

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.33
SGPL1 O95470 3/20 0.33

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
SCHEMBL8447496 0.99 SGPL1 (0.33) S1PR1SGPL1
SCHEMBL8452278 0.96 SGPL1 (0.32) S1PR1SGPL1
SCHEMBL8452214 0.96 S1PR1 (0.32) S1PR1SGPL1
SCHEMBL8453657 0.95 S1PR1 (0.32) S1PR1SGPL1
SCHEMBL8450733 0.93 S1PR1 (0.31) S1PR1SGPL1
SCHEMBL8450487 0.91
SCHEMBL13002290 0.91
SCHEMBL8452425 0.90
SCHEMBL8453781 0.89 CYP2C9 (0.31)
SCHEMBL8453002 0.89

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