SCHEMBL21243787

SCHEMBL21243787

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.50
▸ CTSS P25774 2/20 0.50
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GABRB1 P18505 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PPARA Q07869 5/20 0.44
▸ PPARG P37231 4/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ APP P05067 1/20 0.42
▸ TRPA1 O75762 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
SCHEMBL21243759 1.00 CTSK (0.50) CTSKCTSSMEN1NPC1GAA
SCHEMBL503473 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL2187819 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL2187825 0.85 CTSK (0.52) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3414715 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL5755881 0.84 CTSK (0.51) CTSKCTSSMEN1NPC1GAA
SCHEMBL4117143 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3379781 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4117141 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8380269 0.84 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT

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
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