SCHEMBL8449889

SCHEMBL8449889

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.33
S1PR1 P21453 1/20 0.33
ESR2 Q92731 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
SCHEMBL8451040 0.99 SGPL1 (0.32) SGPL1S1PR1
SCHEMBL8446767 0.96 SGPL1 (0.32) SGPL1S1PR1
SCHEMBL8451870 0.95 ESR2 (0.31) ESR2
SCHEMBL8452693 0.94 ESR2 (0.30) ESR2
SCHEMBL8446726 0.92
SCHEMBL8451771 0.89 ESR2 (0.33) ESR2
SCHEMBL8451608 0.89 SGPL1 (0.32) SGPL1S1PR1
SCHEMBL9013729 0.88 ESR2 (0.30) ESR2
SCHEMBL9013726 0.88 ESR2 (0.30) ESR2
SCHEMBL8451958 0.88 ESR2 (0.32) ESR2

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