SCHEMBL8028649

SCHEMBL8028649

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
PRTN3 P24158 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CTSK P43235 4/20 0.48
CTSS P25774 4/20 0.48
CTSL P07711 3/20 0.48
CTSB P07858 2/20 0.48
CTRB1 P17538 2/20 0.47
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7198750 1.00 ELANE (0.53) ELANEPRTN3ATMALDH1A1CTSK
SCHEMBL7202814 1.00 ELANE (0.53) ELANEPRTN3ATMALDH1A1CTSK
SCHEMBL12906609 0.85 ATM (0.61) ELANEPRTN3ATMCTSKCTSS
SCHEMBL7763449 0.82 TRPM8 (0.58) ATMALDH1A1CTSKCTSSCTSL
SCHEMBL7201468 0.81 CTSS (0.54) ELANEATMCTSKCTSSCTSL
SCHEMBL7201466 0.81 CTSS (0.54) ELANEATMCTSKCTSSCTSL
SCHEMBL7202125 0.81 ATM (0.54) ELANEPRTN3ATMCTSKCTSS
SCHEMBL9112663 0.81 ATM (0.54) ELANEPRTN3ATMALDH1A1CTSK
SCHEMBL7202123 0.81 ATM (0.54) ELANEPRTN3ATMCTSKCTSS
SCHEMBL9114401 0.81 ALDH1A1 (0.57) ELANEPRTN3ATMALDH1A1CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979242-A2 SUBSTITUTED OXADIAZOLE CYSTEINE PROTEASE INHIBITORS CORTECH, INC. (US) 2000-02-16 EP disclosed
WO-1998049190-A2 SUBSTITUTED OXADIAZOLE CYSTEINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-11-05 WO disclosed