SCHEMBL4962228

SCHEMBL4962228

CC(C)(C)OC(=O)N1CCCC1C(=O)OCCl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KLK7 P49862 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
FKBP1A P62942 2/20 0.45
UCHL1 P09936 1/20 0.45
RAB9A P51151 1/20 0.43

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
SCHEMBL3206028 1.00 HSD17B10 (0.54) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL23484492 0.96 FKBP1A (0.50) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL1401256 0.88 FKBP1A (0.58) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL440340 0.88 FKBP1A (0.58) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL8223617 0.88 FKBP1A (0.58) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL9933626 0.87 HSD17B10 (0.53) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL25960270 0.87 HSD17B10 (0.53) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL9933627 0.87 HSD17B10 (0.53) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL7286305 0.86 HSD17B10 (0.61) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL19414808 0.86 HSD17B10 (0.61) HSD17B10SMN1; SMN2ALDH1A1NPC1KMT2A

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-1877391-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. Lundbeck A/S (DK) 2008-01-16 EP disclosed
WO-2006114093-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-11-02 WO disclosed