SCHEMBL9259844

SCHEMBL9259844

CC(C)(C)OC(=O)N(C(N)=O)[C@@H](Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CTSS P25774 6/20 0.39
CTSK P43235 5/20 0.39
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
NSD2 O96028 1/20 0.37
PTPN1 P18031 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
ABCB1 P08183 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL6549571 0.85 CTSS (0.44) CTSSCTSK
SCHEMBL7273450 0.85 SLC7A5 (0.43) CTSSCTSK
SCHEMBL6548736 0.85 ITGA4 (0.44) CTSSCTSKCTSLCTSB
SCHEMBL6952234 0.84 MAOB (0.44) MAOBCTSSCTSKPRSS1CTSG
SCHEMBL7273304 0.82 ALOX5 (0.36) CTSSCTSK
SCHEMBL8392929 0.77 ATM (0.45) CTSSCTSKCTSLCTSB
SCHEMBL9321962 0.77 ATM (0.45) CTSSCTSKCTSLCTSB
SCHEMBL11651226 0.77 ATM (0.45) CTSSCTSKCTSLCTSB
SCHEMBL25336645 0.76 LDHA (0.36) CTSSCTSK
SCHEMBL25336642 0.76 LDHA (0.36) CTSSCTSK

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
US-5412145-A P2'-modified hydroxamic acid collagenase inhibitors BRITISH BIO-TECHNOLOGY LIMITED (GB) 1995-05-02 US disclosed
US-5300674-A P2'-modified hydroxamic acid collagenase inhibitors BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-04-05 US disclosed