SCHEMBL9619638

SCHEMBL9619638

CC(NC(=O)OCc1ccccc1)O[PH](=O)OC(C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
CTSK P43235 6/20 0.53
CTRB1 P17538 2/20 0.52
ELANE P08246 2/20 0.52
CTSS P25774 6/20 0.51
CTSL P07711 5/20 0.51
CTSB P07858 3/20 0.50
PRTN3 P24158 1/20 0.49

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
SCHEMBL7396143 0.90 ATM (0.54) ATMCTSKCTRB1ELANECTSS
SCHEMBL9619639 0.90 ATM (0.54) ATMCTSKCTRB1ELANECTSS
Biphenyl SCHEMBL4150022 0.86 CTSK (0.52) ATMCTSKCTRB1ELANECTSS
SCHEMBL7372298 0.84 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL8198038 0.81 CTRB1 (0.58) ATMCTSKCTRB1CTSSCTSL
SCHEMBL8041576 0.81 ATM (0.64) ATMCTSKCTRB1ELANECTSS
SCHEMBL308291 0.81 ATM (0.64) ATMCTSKCTRB1ELANECTSS
SCHEMBL1764625 0.81 ATM (0.57) ATMCTSKCTRB1ELANECTSS
SCHEMBL9114401 0.81 ALDH1A1 (0.57) ATMCTSKCTRB1ELANECTSS
SCHEMBL6926649 0.81 ATM (0.57) 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-5151521-A 1-aminoethyl phosphonic acid derivatives MERCK & CO., INC. (US) 1992-09-29 US disclosed