SCHEMBL7658636

SCHEMBL7658636

COC(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
GHSR Q92847 6/20 0.44
MMP9 P14780 2/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 2/20 0.42
PTPN1 P18031 1/20 0.41
TACR1 P25103 1/20 0.41
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL8717981 1.00 CTSB (0.47) CTSBCTSSCTSKPPARGPPARD
SCHEMBL7474508 0.90 CTSB (0.42) CTSBCTSSCTSKPPARGPPARD
SCHEMBL8362302 0.90 CTSB (0.42) CTSBCTSSCTSKPPARGPPARD
SCHEMBL1401196 0.88 CTSB (0.49) CTSBCTSSCTSKPPARGPPARA
SCHEMBL3266674 0.88 CTSB (0.49) CTSBCTSSCTSKPPARGPPARA
SCHEMBL31407327 0.88 CTSB (0.49) CTSBCTSSCTSKPPARGPPARA
SCHEMBL29624575 0.88 CTSB (0.49) CTSBCTSSCTSKPPARGPPARA
SCHEMBL7286769 0.88 CTSB (0.49) CTSBCTSSCTSKPPARGPPARA
SCHEMBL12600955 0.85 ITGA4 (0.49) CTSBCTSSCTSKMMP13ACE
SCHEMBL8724329 0.85 ITGA4 (0.49) CTSBCTSSCTSKMMP13ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
EP-0833845-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-04-08 EP disclosed
WO-1997000894-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-01-09 WO disclosed