SCHEMBL30829409

SCHEMBL30829409

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.60
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
PTPN1 P18031 1/20 0.54
CTSS P25774 7/20 0.54
CTSK P43235 6/20 0.54
MME P08473 1/20 0.53
PPARA Q07869 5/20 0.52
PPARG P37231 4/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CTSB P07858 3/20 0.52
PPARD Q03181 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGB5 P18084 1/20 0.50
CTSL P07711 1/20 0.50

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
SCHEMBL1172086 1.00 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL4786137 1.00 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL31525018 0.99 ACE (0.59) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL23069526 0.91 CTSS (0.63) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL23069525 0.91 CTSS (0.63) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL13286814 0.90 ACE (0.58) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL15565481 0.90 ACE (0.58) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL8364977 0.90 CTSS (0.51) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL23575043 0.89 ACE (0.57) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL15109826 0.89 CA2 (0.61) ACEITGB3ITGA2BPTPN1CTSS

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
CN-119264002-A Levodopa fatty acid derivative, preparation thereof and application thereof in treatment of parkinsonism 动态生物公司 2025-01-07 CN disclosed
US-20240049709-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION, (A.R.O), THE VOLCANI INSTITUTE (IL) 2024-02-15 US disclosed