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SCHEMBL19967948

SCHEMBL19967948

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NNC(=O)C(CC=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CCKAR P32238 2/20 0.46
▸ CCKBR P32239 2/20 0.46
▸ AKT1 P31749 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL20630880 0.91 CTSS (0.53) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL4224899 0.91 CTSS (0.55) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL4219003 0.91 CTSS (0.55) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL4214513 0.91 CTSS (0.55) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL31300023 0.85 CTSS (0.56) CTSSCTSLCTSKCTSBAKT1
SCHEMBL14956978 0.85 CTSS (0.56) CTSSCTSLCTSKCTSBAKT1
SCHEMBL27733231 0.84 CTSS (0.56) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL27753734 0.84 CTSS (0.56) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL28778560 0.84 CTSS (0.56) CTSSCTSLCTSKCTSBCCKAR
SCHEMBL29989738 0.84 MDM4 (0.50) MDM2

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
WO-2018047143-A1 VISTA SIGNALING PATHWAY INHIBITORY COMPOUNDS USEFUL AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 — — WO disclosed