SCHEMBL8041576

SCHEMBL8041576

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
CTSK P43235 6/20 0.61
CTRB1 P17538 2/20 0.60
ELANE P08246 2/20 0.59
CTSS P25774 6/20 0.58
CTSL P07711 5/20 0.58
CTSB P07858 3/20 0.57
ALDH1A1 P00352 1/20 0.56
PRTN3 P24158 1/20 0.56

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
SCHEMBL625401 0.93 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL20645281 0.92 ATM (0.59) ATMCTSKCTRB1ELANECTSS
SCHEMBL30946598 0.90 CTSK (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL15080869 0.90 CTSK (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL308291 0.89 ATM (0.64) ATMCTSKCTRB1ELANECTSS
SCHEMBL5075275 0.88 CTSK (0.60) ATMCTSKCTRB1ELANECTSS
SCHEMBL939737 0.88 MAPT (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL7674223 0.88 MAPT (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL5412160 0.88 MAPT (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL22808751 0.88 ATM (0.62) ATMCTSKCTRB1ELANECTSS

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-6140531-A HEATING 2-ALKENYL AZIDE IN SOLVENT PPG INDUSTRIES OHIO, INC. (US) 2000-10-31 US disclosed