SCHEMBL25265258

SCHEMBL25265258

CCCCCCCCCCCCCCCCCCNC(=O)C(NC(=O)O)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MMP8 P22894 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
NAAA Q02083 2/20 0.46
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CASP2 P42575 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL25198620 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2MMP8FNTAFNTB
SCHEMBL20411428 0.88 SIRT6 (0.52) EPHX1SMN1; SMN2MMP8FNTAFNTB
SCHEMBL15630468 0.88 SIRT6 (0.52) EPHX1SMN1; SMN2MMP8FNTAFNTB
SCHEMBL16804862 0.85 FAAH (0.54) EPHX1NAAACASP2
SCHEMBL13870520 0.85 FAAH (0.54) EPHX1NAAACASP2
SCHEMBL12325492 0.85 MEN1 (0.50) EPHX1SMN1; SMN2MMP8NAAAGNAI3
SCHEMBL16804867 0.85 FAAH (0.54) EPHX1NAAACASP2
SCHEMBL13870518 0.85 MEN1 (0.50) EPHX1SMN1; SMN2MMP8NAAAGNAI3
SCHEMBL25328927 0.82 CTSS (0.44) SMN1; SMN2L3MBTL1
SCHEMBL16804861 0.81 ACHE (0.53) EPHX1

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-20230162883-A1 COMPOSITION AND METHOD UNIV LIVERPOOL (GB) 2023-05-25 US disclosed