SCHEMBL9545038

SCHEMBL9545038

COC(=O)C(NC(=O)OC(C)(C)C)C(C)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.54
PPARA Q07869 3/20 0.50
SYK P43405 1/20 0.50
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
CTSS P25774 3/20 0.47
ATM Q13315 1/20 0.47
PTPN1 P18031 4/20 0.47
CDC25B P30305 4/20 0.47
PTPN2 P17706 2/20 0.47
CDC25A P30304 2/20 0.47
PPARG P37231 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 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
SCHEMBL30751650 1.00 KLK5 (0.54) KLK5PPARASYKMMP9MMP8
SCHEMBL9545042 1.00 KLK5 (0.54) KLK5PPARASYKMMP9MMP8
SCHEMBL24814238 1.00 KLK5 (0.54) KLK5PPARASYKMMP9MMP8
SCHEMBL19614435 0.93 SYK (0.53) KLK5PPARASYKMMP9MMP8
SCHEMBL18558745 0.93 SYK (0.53) KLK5PPARASYKMMP9MMP8
SCHEMBL19614433 0.93 SYK (0.53) KLK5PPARASYKMMP9MMP8
SCHEMBL19853304 0.93 SYK (0.53) KLK5PPARASYKMMP9MMP8
SCHEMBL6387553 0.90 PPARA (0.48) KLK5PPARASYKMMP9MMP8
SCHEMBL400186 0.90 PPARA (0.55) PPARASYKMMP9MMP8CTSS
SCHEMBL1414711 0.90 PPARA (0.55) PPARASYKMMP9MMP8CTSS

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
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed