SCHEMBL9618218

SCHEMBL9618218

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3)c(-c3ccc(C#N)c(F)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.40
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38

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
SCHEMBL7514456 0.85 RARB (0.39) KDM1A
SCHEMBL8677220 0.85 RARB (0.39) KDM1A
SCHEMBL8754404 0.85 CTSS (0.38)
SCHEMBL4820112 0.85 CTSS (0.38)
SCHEMBL9344768 0.84 CYP2C9 (0.36) KDM1A
SCHEMBL8077024 0.84 CYP2C9 (0.36) KDM1A
SCHEMBL4578617 0.84 GRM2 (0.38)
SCHEMBL5886452 0.83 MAPT (0.37) KDM1A
SCHEMBL17190567 0.83 MAPT (0.37) KDM1A
SCHEMBL5886450 0.83 MAPT (0.37) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4290859-A None JP disclosed
JP-H04290859-A CYCLOHEXYLTERPHENYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED BY USING THE COMPOSITION SEIKO EPSON CORP 1992-10-15 JP disclosed