Sugi Predict

Sugi Predict / Compounds / SCHEMBL12972258

SCHEMBL12972258

SCHEMBL12972258

CC(C)(C)OC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)NCCOCCNC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.55
▸ CTSK P43235 10/20 0.55
▸ CTSB P07858 4/20 0.53
▸ CTSL P07711 2/20 0.52
▸ AKT1 P31749 1/20 0.51
▸ PTPN1 P18031 4/20 0.48

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
SCHEMBL12972257 0.95 CTSS (0.51) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7522969 0.90 CTSS (0.56) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12972261 0.88 CTSS (0.47) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1781321 0.88 CTSS (0.46) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7525536 0.87 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL15800056 0.85 CTSS (0.56) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7689080 0.85 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL25134105 0.84 SUCNR1 (0.45) CTSSCTSKCTSBPTPN1
SCHEMBL4653261 0.84 CTSS (0.54) CTSSCTSKCTSBCTSLAKT1
SCHEMBL7152899 0.82 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1

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-8815793-B2 Polymeric compositions and related methods of use NORTHWESTERN UNIVERSITY (US) 2014-08-26 — — US disclosed
US-7858679-B2 Polymeric compositions and related methods of use NORTHWESTERN UNIVERSITY (US) 2010-12-28 — — US disclosed