SCHEMBL9197824

SCHEMBL9197824

CCOC(=O)c1nc(C)sc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
CYP1A2 P05177 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
HSD17B10 Q99714 3/20 0.45
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CDC7 O00311 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9256013 0.89 ALDH1A1 (0.70) ALDH1A1CYP1A2NPC1HSD17B10GAA
SCHEMBL9199229 0.86 ALDH1A1 (0.57) ALDH1A1CYP1A2L3MBTL1NPC1HSD17B10
SCHEMBL1431060 0.86 ALDH1A1 (0.57) ALDH1A1CYP1A2NPC1HSD17B10GAA
SCHEMBL9208195 0.81 LMNA (0.62) ALDH1A1CYP1A2NPC1HSD17B10GAA
SCHEMBL2616832 0.80 GAA (0.58) ALDH1A1CYP1A2NPC1HSD17B10GAA
Hydrochloric Acid SCHEMBL9297166 0.80 LMNA (0.61) ALDH1A1CYP1A2NPC1HSD17B10GAA
SCHEMBL4883695 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPC1HSD17B10GAA
SCHEMBL9251236 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2L3MBTL1NPC1HSD17B10
SCHEMBL27761472 0.78 ESR1 (0.49) ALDH1A1L3MBTL1NPC1HSD17B10TSHR
SCHEMBL9197831 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2NPC1HSD17B10GAA

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