SCHEMBL6602040

SCHEMBL6602040

CCOC(=O)c1noc([C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.54
CTSB P07858 4/20 0.54
CTSK P43235 4/20 0.54
PTPRB P23467 3/20 0.46
TSHR P16473 1/20 0.46
ZAP70 P43403 2/20 0.46
SRC P12931 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CTSL P07711 2/20 0.44
PTPN1 P18031 2/20 0.44
REN P00797 1/20 0.43
MMP2 P08253 1/20 0.42
BMP1 P13497 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL6602038 1.00 CTSS (0.54) CTSSCTSBCTSKPTPRBTSHR
SCHEMBL6600244 0.89 CTSS (0.45) CTSSCTSBCTSKZAP70SRC
SCHEMBL6605282 0.89 CTSB (0.45) CTSSCTSBCTSKPTPRBTSHR
SCHEMBL6600359 0.89 CTSS (0.59) CTSSCTSBCTSKPTPRBTSHR
SCHEMBL6600356 0.89 CTSS (0.59) CTSSCTSBCTSKPTPRBTSHR
SCHEMBL6599890 0.87 TSHR (0.58) CTSSCTSBCTSKTSHRALDH1A1
SCHEMBL6605301 0.84 MMP2 (0.43) CTSSCTSBCTSKTSHRZAP70
SCHEMBL6600399 0.84 MMP2 (0.47) CTSSCTSBZAP70SRCCTSL
Hydrochloric Acid SCHEMBL6600392 0.84 MMP2 (0.46) CTSSCTSBZAP70SRCCTSL
SCHEMBL6601179 0.83 KLKB1 (0.48) CTSSZAP70SRCCTSL

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-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed