SCHEMBL21243764

SCHEMBL21243764

COc1ccc(Br)cc1CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
CTSS P25774 3/20 0.48
CTSK P43235 3/20 0.48
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
CTSB P07858 1/20 0.47
SCN9A Q15858 1/20 0.47
AAK1 Q2M2I8 6/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
TACR1 P25103 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30829404 1.00 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL3553357 1.00 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL3553358 1.00 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL24981983 0.91 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL28989259 0.91 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL21639292 0.86 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL21639291 0.86 ACE (0.49) ACECTSSCTSKITGA4ITGB7
SCHEMBL24876442 0.86 ACE (0.51) ACECTSSCTSKCTSBSCN9A
SCHEMBL25183090 0.86 ACE (0.51) ACECTSSCTSKCTSBSCN9A
SCHEMBL22125666 0.85 ACE (0.50) ACECTSSCTSKCTSBSCN9A

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 4 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-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