SCHEMBL21243769

SCHEMBL21243769

CC(C)(C)OC(=O)[C@@H]1NC(C(=O)O)Cc2ccc(O)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
MAPKAPK2 P49137 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H2 P55055 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ANO1 Q5XXA6 1/20 0.31

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
SCHEMBL1202734 1.00 ESR2 (0.38) ESR2MAPKAPK2KDM4ESMN1; SMN2DRD2
SCHEMBL21243773 1.00 ESR2 (0.38) ESR2MAPKAPK2KDM4ESMN1; SMN2DRD2
SCHEMBL1202125 0.90 ESR2 (0.38) ESR2MAPKAPK2DRD2DRD1OPRM1
SCHEMBL27965361 0.84 MAPKAPK2 (0.41) ESR2MAPKAPK2KDM4ESMN1; SMN2DRD2
SCHEMBL2216604 0.83 MAPT (0.43) KDM4ESMN1; SMN2MAPK1GAAMAPT
SCHEMBL8120909 0.83 MAPT (0.43) KDM4ESMN1; SMN2MAPK1GAAMAPT
SCHEMBL3570843 0.83 MAPT (0.43) KDM4ESMN1; SMN2MAPK1GAAMAPT
SCHEMBL1325536 0.83 MAPT (0.43) KDM4ESMN1; SMN2MAPK1GAAMAPT
SCHEMBL2218168 0.83 MAPT (0.43) KDM4ESMN1; SMN2MAPK1GAAMAPT
SCHEMBL29599645 0.83 MAPT (0.43) KDM4ESMN1; SMN2MAPK1GAAMAPT

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