SCHEMBL30751663

SCHEMBL30751663

COC(=O)[C@H](NC(C)=O)[C@H](C)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.47
MMP1 P03956 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN9A Q15858 1/20 0.44
CA9 Q16790 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
SCHEMBL24814077 1.00 MMP9 (0.53) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL19520895 0.88 MMP9 (0.55) MMP9MMP8MMP1ALDH1A1LMNA
SCHEMBL19520896 0.88 MMP9 (0.55) MMP9MMP8MMP1ALDH1A1LMNA
SCHEMBL12475469 0.88 MMP9 (0.47) MMP9MMP8TRPM8MMP1MAPT
SCHEMBL25139529 0.87 MMP9 (0.53) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL5196368 0.87 TRPM8 (0.58) MMP9MMP8TRPM8ALDH1A1LMNA
SCHEMBL12537192 0.87 MMP9 (0.54) MMP9MMP8MMP1ALDH1A1LMNA
SCHEMBL19602425 0.85 MMP9 (0.52) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL19520888 0.84 MMP9 (0.62) MMP9MMP8MMP1LMNA
SCHEMBL24814066 0.84 MMP1 (0.59) MMP9MMP8MMP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561552-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed