SCHEMBL24760591

SCHEMBL24760591

CCCCC(=O)NCCC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.53
FAAH O00519 6/20 0.53
DNM1 Q05193 2/20 0.50
NAAA Q02083 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 4/20 0.46
CNR2 P34972 2/20 0.46
EPHX2 P34913 1/20 0.44
SELP P16109 1/20 0.44

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
SCHEMBL23798574 0.94 FAAH (0.61) CASP2FAAHDNM1NAAACNR1
SCHEMBL26301627 0.86 FAAH (0.59) CASP2FAAHDNM1NAAAMEN1
SCHEMBL14576902 0.84 CASP2 (0.64) CASP2FAAHDNM1NAAAMEN1
SCHEMBL25083401 0.83 MEN1 (0.62) CASP2FAAHDNM1NAAAMEN1
SCHEMBL16085238 0.82 FAAH (0.66) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL19477959 0.82 CASP2 (0.69) CASP2FAAHDNM1NAAAMEN1
SCHEMBL26886295 0.82 FAAH (0.66) CASP2FAAHDNM1NAAAEPHX2
SCHEMBL726152 0.82 CASP2 (0.68) CASP2FAAHDNM1NAAAMEN1
SCHEMBL14576780 0.82 CASP2 (0.68) CASP2FAAHDNM1NAAAMEN1
SCHEMBL8558665 0.82 MEN1 (0.61) CASP2FAAHNAAAMEN1KMT2A

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-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 WO disclosed