SCHEMBL8021039

SCHEMBL8021039

CCN(C(=O)OCc1ccc(OC)cc1)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
ATM Q13315 1/20 0.43
MIF P14174 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CALM1 P0DP23 1/20 0.40
FFAR1 O14842 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7270975 0.83 ALDH1A1 (0.49) MAPTITGB3ITGA2BALDH1A1
SCHEMBL24734359 0.81 L3MBTL1 (0.47) ATMNPC1MAPTRAB9APPARG
SCHEMBL25179533 0.81 L3MBTL1 (0.47) ATMNPC1MAPTRAB9APPARG
SCHEMBL25182954 0.80 ADAMTS5 (0.47) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL10441796 0.78 ITGB3 (0.60) LDHAATMCHRM5CHRM1CHRM3
SCHEMBL2494620 0.78 ITGB3 (0.60) LDHAATMCHRM5CHRM1CHRM3
SCHEMBL14493013 0.78 ITGB3 (0.60) LDHAATMCHRM5CHRM1CHRM3
SCHEMBL7362550 0.78 LMNA (0.49) ITGB3ITGA2BALDH1A1
SCHEMBL27166271 0.78 CTSS (0.43) OPRK1
SCHEMBL10604721 0.78 CTSS (0.43) OPRK1

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
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed