SCHEMBL9408243

SCHEMBL9408243

C=CCC(C(=O)O)C1CCC([C@H]2CC[C@H](c3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.37
CTSC P53634 7/20 0.34
CTSK P43235 3/20 0.34
FASN P49327 2/20 0.33
PANK3 Q9H999 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
NR3C2 P08235 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL9408317 0.97 KDM1A (0.39) KDM1ACTSCCTSKFASNPANK3
SCHEMBL9408328 0.87 USP5 (0.39) KDM1A
SCHEMBL9408250 0.84 KDM1A (0.33) KDM1A
SCHEMBL9408309 0.84 USP5 (0.33) PANK3
SCHEMBL9408224 0.84 KDM1A (0.39) KDM1ACTSCCTSKFASNPANK3
SCHEMBL9180714 0.84 USP5 (0.38) KDM1A
SCHEMBL9180697 0.84 USP5 (0.38) KDM1A
SCHEMBL9408329 0.83 GRIA1 (0.42) FASNPANK3
SCHEMBL9408337 0.83 GRIA1 (0.42) FASNPANK3
SCHEMBL9408392 0.81 CCR2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595144-A1 Cyclohexyl alkenoates as components of liquid crystalline mixtures F. HOFFMANN-LA ROCHE AG (CH) 1994-05-04 EP disclosed