SCHEMBL9200630

SCHEMBL9200630

CC(C)c1nsc(C(=O)NC(C)(C)C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 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
CHRM4 P08173 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL9200634 0.78 KDM4E (0.35) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL9201892 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL30852672 0.65 GPR35 (0.36)
SCHEMBL30852666 0.61 GPR35 (0.37)
SCHEMBL9199770 0.61 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL9198002 0.60 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL11538276 0.60 LMNA (0.53) ALDH1A1GAALMNAHTTNPC1
SCHEMBL9133628 0.60 LMNA (0.35) ALDH1A1GAALMNASMN1; SMN2PRKAB2
SCHEMBL12057434 0.58 CHRM4 (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2185746 0.58 KDM4E (1.00) ALDH1A1KDM4EGAAHPGDGLA

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
EP-0463444-B1 Dicarboxylic acid imides as herbicides BASF AG (DE) 1995-08-30 EP disclosed
US-5378680-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
EP-0463444-A1 Dicarboxylic acid imides as herbicides BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed