SCHEMBL11550447

SCHEMBL11550447

CCCCCCCCC=CCCCCCCCC(=O)NC(CC)OC(CC)NC(=O)CCCCCCCC=CCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 1/20 0.56
FAAH O00519 2/20 0.56
ASAH2 Q9NR71 1/20 0.56
DEGS1 O15121 1/20 0.56
CETP P11597 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CNR2 P34972 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
THRB P10828 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL3863049 0.91 FAAH (0.61) FAAHASAH2ALDH1A1MEN1KMT2A
SCHEMBL28201082 0.86 LPAR3 (0.55) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL16011202 0.83 FAAH (0.60) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL2058960 0.83 FAAH (0.60) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL16011422 0.83 FAAH (0.60) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL16011313 0.83 FAAH (0.60) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL9680593 0.82 LPAR3 (0.60) LPAR3ALDH1A1CNR2THRBMEN1
SCHEMBL4148703 0.82 LPAR3 (0.48) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL15349438 0.81 FAAH (0.58) LPAR3FAAHASAH2DEGS1CETP
SCHEMBL16389956 0.81 ASAH2 (0.62) FAAHASAH2DEGS1CETPALDH1A1

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
US-4162998-A AMINE CURING AGENT CONTAINING ONLY TWO ACTIVE HYDROGENS, PAVING FOR REPARI WORK KAO SOAP CO., LTD. (JP) 1979-07-31 US disclosed