SCHEMBL7210652

SCHEMBL7210652

CC([O])c1coc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4B Q07343 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 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
SCHEMBL14701593 0.85 ALDH1A1 (0.46) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL23558942 0.82 ALDH1A1 (0.44) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL7158026 0.82 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL30765878 0.82 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC8HDAC6ENPP3
Hydrochloric Acid SCHEMBL30765949 0.81 ALDH1A1 (0.46) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL4033224 0.77 ENPP3 (0.49) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL7159207 0.72 PPARG (0.47) ALDH1A1ENPP3ENPP1NPC1RAB9A
SCHEMBL3951956 0.71 ENPP3 (0.53) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL19378458 0.71 HDAC1 (0.51) ALDH1A1HDAC1HDAC8HDAC6ENPP3
SCHEMBL30765823 0.70 HDAC1 (0.39) ALDH1A1HDAC1HDAC8HDAC6ENPP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617343-B1 Treating non-insulin-dependent diabetes mellitus ELI LILLY AND COMPANY 2003-09-09 US claimed
EP-1214301-A1 HYPOGLYCEMIC N,N-ARYLSULFONYLGLYCINE COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-19 EP claimed
WO-2001016119-A1 HYPOGLYCEMIC N,N-ARYLSULFONYLGLYCINE COMPOUNDS ELI LILLY AND COMPANY (US) 2001-03-08 WO claimed