SCHEMBL28198599

SCHEMBL28198599

CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.57
CTSK P43235 2/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
ACE P12821 1/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 1/20 0.54
KLK5 Q9Y337 1/20 0.53
PPARA Q07869 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
EPHX2 P34913 1/20 0.50

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
SCHEMBL10857658 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL28198598 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBACE
SCHEMBL22404737 0.93 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL3355326 0.93 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL85543 0.93 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL18941938 0.91 CTSS (0.57) CTSSCTSKCTSLCTSBMAPT
SCHEMBL21883788 0.89 MMP1 (0.53) CTSSCTSKCTSLCTSBACE
SCHEMBL11828072 0.89 CTSL (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL7409389 0.88 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL1486267 0.88 CTSS (0.63) CTSSCTSKCTSLCTSBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143212-B Tripeptide epoxy ketone protease inhibitors 欧尼斯治疗公司 2018-02-23 CN disclosed