SCHEMBL22808751

SCHEMBL22808751

C[C@H](I)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
CTSK P43235 7/20 0.59
CTRB1 P17538 2/20 0.59
ELANE P08246 1/20 0.58
CTSS P25774 6/20 0.57
CTSL P07711 5/20 0.57
CTSB P07858 3/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL308291 0.88 ATM (0.64) ATMCTSKCTRB1ELANECTSS
SCHEMBL8041576 0.88 ATM (0.64) ATMCTSKCTRB1ELANECTSS
SCHEMBL22370065 0.87 ATM (0.50) ATMCTSKCTRB1ELANECTSS
SCHEMBL11094221 0.86 ATM (0.62) ATMCTSKCTRB1ELANECTSS
SCHEMBL2059541 0.86 ATM (0.62) ATMCTSKCTRB1ELANECTSS
SCHEMBL5949296 0.85 ATM (0.58) ATMCTSKCTRB1ELANECTSS
SCHEMBL4321696 0.85 ATM (0.58) ATMCTSKCTRB1ELANECTSS
SCHEMBL7527895 0.85 SYK (0.55) ATMCTSKCTRB1ELANECTSS
SCHEMBL6140023 0.85 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL17956471 0.85 ATM (0.61) 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
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed