SCHEMBL9201712

SCHEMBL9201712

CCOC(=O)Oc1nc(C)sc1C(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
HSD11B1 P28845 5/20 0.40
ALOX5 P09917 1/20 0.38
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HPGD P15428 4/20 0.35
RAB9A P51151 2/20 0.35
CA2 P00918 1/20 0.34
GAA P10253 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ROCK2 O75116 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 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
SCHEMBL9198008 0.83 CHRM4 (0.39) NPC1HSD11B1CHRM4ALDH1A1HPGD
SCHEMBL9202337 0.78 DPP4 (0.36) NPC1ALOX5ALDH1A1HPGDRAB9A
SCHEMBL9251236 0.78 ALDH1A1 (0.49) NPC1CHRM4ALDH1A1HPGDRAB9A
SCHEMBL9254522 0.75 NPC1 (0.51) NPC1ALDH1A1HPGDRAB9AGAA
SCHEMBL9202295 0.73 ALOX5 (0.44) NPC1HSD11B1ALOX5ALDH1A1HPGD
SCHEMBL12669759 0.73 RAB9A (0.53) NPC1HSD11B1CHRM4ALDH1A1HPGD
SCHEMBL9198002 0.69 ALDH1A1 (0.44) NPC1CHRM4ALDH1A1HPGDRAB9A
SCHEMBL9199237 0.68 NPC1 (0.49) NPC1ALDH1A1HPGDRAB9AGAA
SCHEMBL3252705 0.68 ALOX5 (0.39) NPC1HSD11B1ALOX5ALDH1A1HPGD
SCHEMBL12057434 0.67 CHRM4 (0.39) NPC1CHRM4ALDH1A1HPGDRAB9A

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