SCHEMBL9199237

SCHEMBL9199237

CCOC(=O)c1sc(C)nc1OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 7/20 0.46
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CDC7 O00311 3/20 0.44
DBF4 Q9UBU7 3/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 1/20 0.43
ROCK2 O75116 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.41
MC4R P32245 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
SCHEMBL20654264 0.83 NPC1 (0.51) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL5651486 0.83 CDC7 (0.59) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL20214829 0.81 NPC1 (0.47) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL4290802 0.81 NPC1 (0.44) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL5112527 0.79 NPC1 (0.48) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL5651839 0.78 NPC1 (0.47) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL26103441 0.78 NPC1 (0.47) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL2498385 0.78 NPC1 (0.72) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL8236741 0.77 ALDH1A1 (0.46) NPC1ALDH1A1CYP1A2HSD17B10GAA
SCHEMBL1194342 0.77 NPC1 (0.43) NPC1ALDH1A1CYP1A2HSD17B10GAA

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