SCHEMBL21243761

SCHEMBL21243761

CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C#N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.56
CTSK P43235 13/20 0.56
CTSB P07858 3/20 0.48
CTSL P07711 1/20 0.48
TRPA1 O75762 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2187819 0.81 CTSK (0.52) CTSSCTSKCTSBCTSLGABRB1
SCHEMBL503473 0.81 CTSK (0.52) CTSSCTSKCTSBCTSLGABRB1
SCHEMBL2187825 0.81 CTSK (0.52) CTSSCTSKCTSBCTSLGABRB1
SCHEMBL3379781 0.80 CTSK (0.51) CTSSCTSKGABRB1GABRB2MAPT
SCHEMBL4117141 0.80 CTSK (0.51) CTSSCTSKGABRB1GABRB2MAPT
SCHEMBL8380269 0.80 CTSK (0.51) CTSSCTSKGABRB1GABRB2MAPT
SCHEMBL3186812 0.80 CTSS (0.61) CTSSCTSKCTSBCTSLGABRB1
SCHEMBL3414715 0.80 CTSK (0.51) CTSSCTSKGABRB1GABRB2MAPT
SCHEMBL14250689 0.80 CTSK (0.51) CTSSCTSKGABRB1GABRB2MAPT
SCHEMBL4117143 0.80 CTSK (0.51) CTSSCTSKGABRB1GABRB2MAPT

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