SCHEMBL9856232

SCHEMBL9856232

CCCCCCCCCCCCCC=CC(CCOC(C)=O)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTPN1 P18031 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 1/20 0.40
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39

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
SCHEMBL11087291 0.92 ALDH1A1 (0.45) PRKCAALDH1A1CYP3A4MAPTUSP2
SCHEMBL29259205 0.88 MEN1 (0.50) CYP3A4MAPTMEN1KMT2ATP53
SCHEMBL500451 0.88 MEN1 (0.46) PRKCACYP3A4MAPTUSP2LMNA
SCHEMBL500452 0.88 MEN1 (0.46) PRKCACYP3A4MAPTUSP2LMNA
SCHEMBL7939398 0.85 PRKCA (0.46) PRKCAALDH1A1CYP3A4MAPTUSP2
SCHEMBL29094957 0.84 MEN1 (0.45) CYP3A4MAPTMEN1KMT2ATP53
SCHEMBL31538337 0.82 ALDH1A1 (0.46) PRKCAALDH1A1CYP3A4MAPTUSP2
SCHEMBL31538323 0.82 ALDH1A1 (0.46) PRKCAALDH1A1CYP3A4MAPTUSP2
SCHEMBL31538379 0.82 ALDH1A1 (0.46) PRKCAALDH1A1CYP3A4MAPTUSP2
SCHEMBL31538307 0.82 ALDH1A1 (0.46) PRKCAALDH1A1CYP3A4MAPTUSP2

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-0293006-B1 UN-NATURAL CERAMIDE RELATED COMPOUNDS AND PREPARATION THEREOF MECT CORPORATION (JP) 1991-06-12 EP claimed