SCHEMBL7592767

SCHEMBL7592767

CCC(Cc1c[nH]nc1-c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.52
PPARG P37231 10/20 0.42
PPARA Q07869 9/20 0.42
PPARD Q03181 3/20 0.42
CYP1A2 P05177 1/20 0.40
EPHX2 P34913 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11123121 0.78 ALOX15 (0.43) CYP1A2HPGDSSMN1; SMN2
SCHEMBL12304043 0.77 ALOX15 (0.39) NR4A2ADORA2AADORA1SMN1; SMN2
SCHEMBL19502669 0.75 CYP1A2 (0.57) NR4A2PPARGPPARAPPARDCYP1A2
SCHEMBL5376863 0.74 NR4A2 (0.39) NR4A2ADORA2AADORA1HPGDSSMN1; SMN2
SCHEMBL7588663 0.74 PPARG (0.37) NR4A2PPARGPPARAPPARDCYP1A2
SCHEMBL5381820 0.73 LMNA (0.54) HPGDSSMN1; SMN2
SCHEMBL1582615 0.73 KMT2A (0.67) NR4A2PPARGPPARAPPARDCYP1A2
SCHEMBL11624564 0.72 ALOX15 (0.41) ADORA2AADORA1HPGDSSMN1; SMN2
SCHEMBL27794351 0.70 NR4A2 (0.32) NR4A2SMN1; SMN2
SCHEMBL28986044 0.69 TAOK1 (0.48) PPARGPPARAPPARDEPHX2SMN1; SMN2

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-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed