SCHEMBL9200634

SCHEMBL9200634

CC(C)c1nsc(C(=O)NC(C)(C)C)c1OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL9200630 0.78 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9201897 0.72 PRKAB2 (0.32) SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9525941 0.65 MAPT (0.31) ALDH1A1
SCHEMBL9199776 0.64 LMNA (0.39) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL9198008 0.64 CHRM4 (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9206108 0.62 NPC1 (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL2185749 0.62 ALDH1A1 (0.60) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9209823 0.61 NPC1 (0.36) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9526216 0.61 ALDH1A1 (0.37) KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL9203070 0.61 GABRA5 (0.38) ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463444-B1 Dicarboxylic acid imides as herbicides BASF AG (DE) 1995-08-30 EP disclosed
EP-0463444-A1 Dicarboxylic acid imides as herbicides BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed