SCHEMBL8307743

SCHEMBL8307743

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)C1CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSB P07858 1/20 0.44
CAPN1 P07384 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SSTR4 P31391 4/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
PSMB5 P28074 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8776174 0.87 SSTR4 (0.39) CTSKCTSLCTSSCTSBSSTR4
SCHEMBL19619076 0.82 CTSK (0.56) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL19851480 0.82 CTSK (0.56) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL28908633 0.82 SSTR4 (0.41) CTSKCTSLCTSSCTSBSSTR4
SCHEMBL7357403 0.81 CTSS (0.51) CTSKCTSLCTSSCTSBSSTR4
SCHEMBL4185679 0.80 CTSS (0.52) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL6843350 0.79 SSTR4 (0.39) CTSKCTSLCTSSCTSBSSTR4
SCHEMBL28576006 0.76 SSTR4 (0.43) SSTR4
SCHEMBL31252251 0.74 IDO1 (0.43) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL28352490 0.74 SSTR4 (0.39) CTSKCTSSGAASSTR4CA1

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-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed