SCHEMBL23467015

SCHEMBL23467015

CC(C)(C)OC(=O)N(C(Cc1cccc(Br)c1)C(=O)O)C(C)(C)C.CC(C)(C)OC(=O)NC(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.60
▸ CTSK P43235 6/20 0.60
▸ CTSB P07858 4/20 0.60
▸ ACE P12821 2/20 0.52
▸ PTPN1 P18031 3/20 0.48
▸ CTSL P07711 2/20 0.46
▸ ITGB3 P05106 2/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ PPARA Q07869 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ APP P05067 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL29758057 0.88 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL30655726 0.88 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL30829402 0.88 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL1073538 0.88 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL3553426 0.88 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL2333358 0.88 CTSS (0.74) CTSSCTSKCTSBACEPTPN1
SCHEMBL20905314 0.79 CTSS (0.71) CTSSCTSKCTSBACECTSL
SCHEMBL27350854 0.79 CTSS (0.71) CTSSCTSKCTSBACECTSL
SCHEMBL21946642 0.78 CTSS (0.69) CTSSCTSKCTSBACECTSL
SCHEMBL25183126 0.78 CTSB (0.49) CTSSCTSKCTSB

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-2021112251-A1 AZETIDINE SULFONAMIDE COMPOUND 第一三共株式会社 2021-06-10 — — WO disclosed
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