SCHEMBL999188

SCHEMBL999188

CC(C)C[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.47
▸ CTSB P07858 4/20 0.47
▸ CTSS P25774 4/20 0.47
▸ CTSL P07711 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL18174177 0.93 ALDH1A1 (0.47) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL19586697 0.91 TPSAB1 (0.46) CTSKCTSBCTSSCTSLALDH1A1
Water SCHEMBL1238348 0.90 TPSAB1 (0.45) CTSKCTSBCTSSCTSL
SCHEMBL10537523 0.90 CTSK (0.44) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL7000046 0.87 CTSK (0.57) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL2300007 0.87 CTSK (0.57) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL2497060 0.87 CTSK (0.57) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL11433447 0.86 SLC1A1 (0.41) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL10443784 0.86 SLC15A1 (0.46) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL31520502 0.86 CTSK (0.41) CTSKCTSBCTSSCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467144-A1 COMBINATION OF PROTEASOME INHIBITORS AND ANTI-HEPATITIS MEDICATION FOR TREATING HEPATITIS ViroLogik GmbH (DE) 2012-06-27 — — EP disclosed
WO-2011009961-A1 COMBINATION OF PROTEASOME INHIBITORS AND ANTI-HEPATITIS MEDICATION FOR TREATING HEPATITIS VIROLOGIK GMBH (DE) 2011-01-27 — — WO disclosed
EP-0181071-A2 Amino acid ester and amide renin inhibitors E.R. Squibb & Sons, Inc. (US) 1986-05-14 — — EP disclosed
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