SCHEMBL9197831

SCHEMBL9197831

CCOC(=O)c1nc(C)sc1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 2/20 0.47
GAA P10253 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TARBP2 Q15633 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL9208203 0.81 LMNA (0.54) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL2616832 0.79 GAA (0.58) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL9197824 0.78 ALDH1A1 (0.57) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL9256013 0.77 ALDH1A1 (0.70) ALDH1A1CYP1A2GAAKMT2ANPC1
SCHEMBL1194383 0.76 ALDH1A1 (0.58) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL12850210 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL3950364 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL10317272 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2GAATARBP2NPC1
SCHEMBL12228827 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL3313992 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2GAAMEN1KMT2A

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