SCHEMBL7307622

SCHEMBL7307622

[CH2]C(C(C)=O)C(=O)CCCCCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 3/20 0.48
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL430824 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL2440945 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL2442645 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL14976297 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL2444713 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL430826 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL14976704 0.89 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL28146618 0.82 CES2 (0.39) CES2CES1ALDH1A1TSHR
SCHEMBL15710411 0.79 TERT (0.61) MEN1FAAHKMT2APPARGPPARD
SCHEMBL15809511 0.78 CES2 (0.59) CES2CES1GPR84PPARGPPARD

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-0572952-A1 4-Benzylpiperidine derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1993-12-08 EP disclosed