SCHEMBL28297328

SCHEMBL28297328

CC(CCC(=O)CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CTSK P43235 5/20 0.50
ELANE P08246 1/20 0.49
CTRB1 P17538 2/20 0.49
CTSS P25774 4/20 0.48
CTSL P07711 3/20 0.48
HTT P42858 1/20 0.48
CTSB P07858 2/20 0.47

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
SCHEMBL265604 0.90 ATM (0.56) ATMCTSKELANECTRB1CTSS
SCHEMBL8061660 0.90 ATM (0.56) ATMCTSKELANECTRB1CTSS
SCHEMBL265046 0.90 ATM (0.56) ATMCTSKELANECTRB1CTSS
SCHEMBL26088846 0.87 SIRT2 (0.50) ATMCTSKELANECTRB1CTSS
SCHEMBL26088808 0.86 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL22321302 0.86 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL22321304 0.86 ATM (0.54) ATMCTSKELANECTRB1CTSS
SCHEMBL5486613 0.85 CTRB1 (0.53) ATMCTSKELANECTRB1CTSS
SCHEMBL5486617 0.85 ATM (0.53) ATMCTSKELANECTRB1CTSS
SCHEMBL12935869 0.85 CTSK (0.54) ATMCTSKELANECTRB1

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
CN-109689654-A 7-substituted 1-pyridyl-naphthyridine-3-carboxamides and their use 拜耳医药股份有限公司 2019-04-26 CN disclosed