SCHEMBL8451608

SCHEMBL8451608

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.32
S1PR1 P21453 1/20 0.32
LSS P48449 1/20 0.31

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
SCHEMBL8454226 0.99 SGPL1 (0.32) SGPL1S1PR1LSS
SCHEMBL8452125 0.96 SGPL1 (0.31) SGPL1S1PR1
SCHEMBL8451035 0.96
SCHEMBL8454127 0.94
SCHEMBL8454506 0.92
SCHEMBL8452041 0.90 ESR2 (0.31)
SCHEMBL13002308 0.90 ESR2 (0.31)
SCHEMBL8449889 0.89 SGPL1 (0.33) SGPL1S1PR1
SCHEMBL8450049 0.89 ESR2 (0.30)
SCHEMBL8451040 0.87 SGPL1 (0.32) SGPL1S1PR1

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