SCHEMBL9408317

SCHEMBL9408317

C=CCC(C(=O)O)C1CCC(c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.39
PANK3 Q9H999 1/20 0.34
FASN P49327 2/20 0.34
EGLN2 Q96KS0 2/20 0.33
NR3C2 P08235 1/20 0.33
ENPP2 Q13822 1/20 0.33
CTSC P53634 2/20 0.32
USP30 Q70CQ3 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
AOC3 Q16853 1/20 0.32
CTSK P43235 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL9408243 0.97 KDM1A (0.37) KDM1APANK3FASNEGLN2NR3C2
SCHEMBL9180714 0.86 USP5 (0.38) KDM1AUSP30
SCHEMBL9180697 0.86 USP5 (0.38) KDM1AUSP30
SCHEMBL9408209 0.83 KDM1A (0.40) KDM1APANK3FASNEGLN2NR3C2
SCHEMBL9408328 0.83 USP5 (0.39) KDM1AUSP30
SCHEMBL9408390 0.83 KDM1A (0.35) KDM1A
SCHEMBL9408208 0.83 PPARG (0.34) PANK3
SCHEMBL9408438 0.82 GRIA1 (0.45) PANK3FASNUSP30FFAR4
SCHEMBL9408444 0.82 GRIA1 (0.45) PANK3FASNUSP30FFAR4
SCHEMBL9408250 0.80 KDM1A (0.33) 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 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