SCHEMBL21243772

SCHEMBL21243772

CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.58
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
CTSS P25774 8/20 0.49
CTSK P43235 7/20 0.49
CTSB P07858 3/20 0.48
CTSL P07711 1/20 0.48
PTPN1 P18031 1/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
PPARD Q03181 2/20 0.46
FOLH1 Q04609 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45

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
SCHEMBL5160323 1.00 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL7014593 1.00 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL23574413 0.93 ACE (0.52) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL23574224 0.93 ACE (0.52) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL23574222 0.93 ACE (0.52) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL23574414 0.93 ACE (0.52) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL7270069 0.92 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL8417806 0.91 THRB (0.59) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1526069 0.91 THRB (0.59) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL10780803 0.91 THRB (0.59) ACEITGB3ITGA2BCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US 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
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
US-20200383327-A1 METHOD OF IMPROVING PLANT PERFORMANCE THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-12-10 US disclosed
US-20190246639-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCHORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2019-08-15 US disclosed