SCHEMBL7322957

SCHEMBL7322957

CC(=O)Br.CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.62
PREP P48147 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
GFER P55789 1/20 0.55
CTSK P43235 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CTSL P07711 1/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.53
HSD17B10 Q99714 1/20 0.52
PRCP P42785 1/20 0.52
ELANE P08246 1/20 0.52
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52

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
SCHEMBL7315812 0.96 CTRB1 (0.67) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL7322953 0.93 CTRB1 (0.61) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL24224270 0.89 CTRB1 (0.66) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL9649812 0.87 CTRB1 (0.58) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL8247594 0.86 CTRB1 (0.73) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL8395473 0.86 CTRB1 (0.73) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL8248799 0.86 CTRB1 (0.73) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL29599350 0.86 CTRB1 (0.62) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL9243277 0.86 CTRB1 (0.69) CTRB1PREPNPSR1KMT2ATSHR
SCHEMBL31084237 0.86 CTRB1 (0.69) CTRB1PREPNPSR1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed