SCHEMBL9956668

SCHEMBL9956668

CC(C)(C)OC(=O)N[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.55
CTSS P25774 5/20 0.53
CTSK P43235 4/20 0.53
CTSB P07858 3/20 0.53
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
CTSL P07711 2/20 0.52
PTPN1 P18031 1/20 0.49
MAPT P10636 2/20 0.49
ALOX5 P09917 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48

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
SCHEMBL29469017 1.00 ACE (0.59) ACEPPARAPPARGCTSSCTSK
SCHEMBL2727571 1.00 ACE (0.59) ACEPPARAPPARGCTSSCTSK
SCHEMBL9956671 1.00 ACE (0.59) ACEPPARAPPARGCTSSCTSK
SCHEMBL2727573 1.00 ACE (0.59) ACEPPARAPPARGCTSSCTSK
SCHEMBL2728490 0.91 KLK5 (0.55) ACEPPARAPPARGCTSSCTSK
SCHEMBL6674426 0.91 KLK5 (0.55) ACEPPARAPPARGCTSSCTSK
SCHEMBL9854733 0.90 REN (0.52) ACEPPARAPPARGCTSSCTSK
SCHEMBL15715615 0.89 CTSS (0.53) ACEPPARAPPARGCTSSCTSK
SCHEMBL29551208 0.88 ITGA4 (0.53) ACEPPARACTSSCTSKCTSB
SCHEMBL4733108 0.88 ITGA4 (0.50) ACEPPARAPPARGCTSSCTSK

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 6 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
EP-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 WO disclosed