SCHEMBL25285288

SCHEMBL25285288

CC(CN1CC(C(=O)OCc2ccccc2)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
SYK P43405 1/20 0.47
PPARA Q07869 1/20 0.44
MAPT P10636 1/20 0.44
KLK7 P49862 4/20 0.44
KLK5 Q9Y337 3/20 0.44
HPGD P15428 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
CTSS P25774 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
SCHEMBL25285287 1.00 CTSL (0.53) CTSLSYKPPARAMAPTKLK7
SCHEMBL25243646 0.92 CTSL (0.52) CTSLSYKPPARAMAPTITGB3
SCHEMBL25283470 0.92 CTSL (0.52) CTSLSYKPPARAMAPTITGB3
SCHEMBL4510998 0.81 CTSL (0.48) CTSLSYKPPARAMAPTKMT2A
SCHEMBL4511000 0.81 CTSL (0.48) CTSLSYKPPARAMAPTKMT2A
SCHEMBL18215182 0.81 HDAC4 (0.48) CTSLKMT2AMEN1CTSS
SCHEMBL28650985 0.81 HDAC4 (0.48) CTSLKMT2AMEN1CTSS
SCHEMBL16732549 0.78 CTSL (0.52) CTSLSYKPPARAMAPTKLK7
SCHEMBL16732553 0.78 CTSL (0.52) CTSLSYKPPARAMAPTKLK7
SCHEMBL25282355 0.78 HPGD (0.48) HPGDALDH1A1

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-2023116824-A1 PYRIDAZINONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 中国药科大学 2023-06-29 WO disclosed