SCHEMBL7279908

SCHEMBL7279908

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
ATM Q13315 1/20 0.48
CTSB P07858 3/20 0.47
PRTN3 P24158 2/20 0.47
CTSK P43235 4/20 0.46
CTSL P07711 3/20 0.46
CTSS P25774 3/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CTRB1 P17538 2/20 0.45

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
SCHEMBL4394496 0.91 ATM (0.56) ELANEATMCTSBPRTN3CTSK
SCHEMBL4394493 0.91 ATM (0.56) ELANEATMCTSBPRTN3CTSK
SCHEMBL2228854 0.91 ATM (0.56) ELANEATMCTSBPRTN3CTSK
SCHEMBL7307323 0.82 CTSL (0.58) ELANEATMCTSBCTSKCTSL
SCHEMBL10557675 0.82 CTRB1 (0.51) ELANEATMCTSBCTSKCTSL
SCHEMBL7807991 0.81 CASP3 (0.59) CTSBCTSKCTSLCTSSCASP1
SCHEMBL7807995 0.81 CASP3 (0.59) CTSBCTSKCTSLCTSSCASP1
SCHEMBL10421380 0.81 ELANE (0.49) ELANEATMCTSBPRTN3CTSK
SCHEMBL11185055 0.80 HSD17B10 (0.48) ATMCTSBCTSKCTSLCTSS
SCHEMBL14341586 0.80 CTSL (0.63) CTSBCTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248562-B1 Difluoro peptide compounds ZENECA INC (US) 1995-10-25 EP disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0249349-B1 DIFLUOROKETO COMPOUNDS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-4923890-A Difluoro keto compounds and their use as HLE inhibitors ICI AMERICAS INC. (US) 1990-05-08 US disclosed
US-4873221-A Difluoro peptide compounds ICI AMERICAS INC. (US) 1989-10-10 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed
EP-0249349-A1 Difluoroketo compounds ICI AMERICAS INC. (US) 1987-12-16 EP disclosed
EP-0248562-A2 Difluoro peptide compounds ZENECA INC. (US) 1987-12-09 EP disclosed
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
EP-0204571-A2 Selected difluoro derivatives ICI AMERICAS INC. (US) 1986-12-10 EP disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed