SCHEMBL19960600

SCHEMBL19960600

CCCCCC(=O)NCCNC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.63
DNM1 Q05193 2/20 0.59
CASP2 P42575 1/20 0.59
NAAA Q02083 1/20 0.55
HSP90AA1 P07900 1/20 0.52
EPHX2 P34913 3/20 0.51
SELP P16109 1/20 0.51
CNR1 P21554 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL19960728 0.94 CASP2 (0.69) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL19960886 0.92 CASP2 (0.71) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL19960974 0.92 CASP2 (0.71) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL1630120 0.91 FAAH (0.73) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL25350370 0.89 FAAH (0.77) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL2089790 0.89 FAAH (0.77) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL11170358 0.89 FAAH (0.77) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL227920 0.89 FAAH (0.77) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL14576744 0.89 FAAH (0.77) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL846255 0.89 FAAH (0.77) FAAHDNM1CASP2NAAAHSP90AA1

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
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed