SCHEMBL3225061

SCHEMBL3225061

CCCCCCCCCCC(C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.58
PLA2G5 P39877 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
ACE2 Q9BYF1 1/20 0.50
TP53 P04637 1/20 0.49
FAAH O00519 1/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
CA1 P00915 2/20 0.46
FFAR1 O14842 1/20 0.46
BIRC2 Q13490 1/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL13963514 1.00 PLA2G2A (0.58) PLA2G2APLA2G5SMN1; SMN2ACE2TP53
SCHEMBL13963513 0.87 ALDH1A1 (0.50) PLA2G2APLA2G5SMN1; SMN2ACE2FAAH
SCHEMBL29233005 0.87 PLA2G2A (0.58) PLA2G2APLA2G5SMN1; SMN2ACE2TP53
SCHEMBL4023087 0.86 SMN1; SMN2 (0.49) PLA2G2APLA2G5SMN1; SMN2TP53PPARG
SCHEMBL13963510 0.83 FAAH (0.62) SMN1; SMN2ACE2FAAHGPR84CA1
SCHEMBL28051018 0.83 FAAH (0.62) SMN1; SMN2ACE2FAAHGPR84CA1
SCHEMBL13963508 0.83 FAAH (0.62) SMN1; SMN2ACE2FAAHGPR84CA1
SCHEMBL13963509 0.83 FAAH (0.62) SMN1; SMN2ACE2FAAHGPR84CA1
SCHEMBL14524255 0.82 SMN1; SMN2 (0.54) PLA2G2APLA2G5SMN1; SMN2TP53PPARG
SCHEMBL13963515 0.81 MMP3 (0.55) ACE2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100065492-A1 Compositions And Methods For Separating Enantiomers WATERS TECHNOLOGIES CORPORATION (US) 2010-03-18 US disclosed
US-7628920-B2 Compositions and methods for separating enantiomers WATERS TECHNOLOGIES CORPORATION (US) 2009-12-08 US disclosed
US-20080237130-A1 Compositions and Methods for Separating Enantiomers WATERS INVESTMENTS LIMITED (US) 2008-10-02 US disclosed
WO-2005099855-A1 COMPOSITIONS AND METHODS FOR SEPARATING ENANTIOMERS WATERS INVESTMENTS LIMITED (US) 2005-10-27 WO disclosed