SCHEMBL21243779

SCHEMBL21243779

CC(C)(C)OC(=O)N[C@](C#N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.51
CTSK P43235 8/20 0.51
CTSB P07858 6/20 0.51
CTSL P07711 4/20 0.51
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
AKT1 P31749 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL21243777 1.00 CTSS (0.51) CTSSCTSKCTSBCTSLCA12
SCHEMBL13567863 0.83 CTSS (0.50) CTSSCTSKCTSBCTSLCA12
SCHEMBL3788661 0.81 CTSS (0.48) CTSSCTSKCTSBCTSLCA12
SCHEMBL8650822 0.79 CTSL (0.62) CTSSCTSKCTSL
SCHEMBL2131898 0.79 CTSS (0.49) CTSSCTSKCTSBCTSLCA12
Water SCHEMBL27509394 0.79 CTSS (0.48) CTSSCTSKCTSBCTSLCA12
SCHEMBL2711160 0.79 CA12 (0.50) CTSSCTSKCTSBCTSLCA12
SCHEMBL1552723 0.79 CA12 (0.50) CTSSCTSKCTSBCTSLCA12
SCHEMBL1350805 0.79 CA12 (0.50) CTSSCTSKCTSBCTSLCA12
SCHEMBL1350802 0.79 CA12 (0.50) CTSSCTSKCTSBCTSLCA12

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