SCHEMBL29687718

SCHEMBL29687718

Cc1c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NN)ccc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 14/20 0.44
▸ CTSK P43235 13/20 0.44
▸ CTSL P07711 3/20 0.43
▸ CTSB P07858 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 1/20 0.41

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
SCHEMBL10658682 0.77 ACE (0.49) CTSSCTSKCTSLCTSB
SCHEMBL9499340 0.77 ACE (0.49) CTSSCTSKCTSLCTSB
SCHEMBL31725709 0.77 TACR1 (0.46) CTSSCTSKCTSLCTSBMAPT
SCHEMBL31633736 0.77 CTSS (0.70) CTSSCTSKCTSLCTSB
SCHEMBL3004471 0.75 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL3004474 0.75 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL5556757 0.75 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL20415725 0.74 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL23656831 0.74 CTSL (0.74) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL20415667 0.73 CTSS (0.56) CTSSCTSKCTSLCTSB

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
EP-4028404-A2 PENAM DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Tennor Therapeutics Limited (CN) 2022-07-20 — — EP disclosed
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