SCHEMBL5397120

SCHEMBL5397120

CCOc1cc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc(OCc2csc(-c3cnccn3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
PPARG P37231 5/20 0.35
F2RL3 Q96RI0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PTPRB P23467 1/20 0.33
DNM1L O00429 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL5377480 0.94 F2RL3 (0.40) PPARAALDH1A1FFAR1FFAR4CPT2
SCHEMBL5384867 0.94 PPARA (0.39) PPARAFFAR1CPT2CPT1ACPT1B
SCHEMBL5372063 0.94 ALDH1A1 (0.39) PPARAALDH1A1TP53POLBMAPT
SCHEMBL5377142 0.91 PPARA (0.45) PPARAALDH1A1TP53POLBMAPT
SCHEMBL5454293 0.90 PPARA (0.37) PPARAALDH1A1TP53POLBMAPT
SCHEMBL5372440 0.90 F2RL3 (0.38) PPARAALDH1A1TP53MAPTCPT2
SCHEMBL5387592 0.90 FFAR1 (0.41) FFAR1FFAR4CPT2CPT1ACPT1B
SCHEMBL5380915 0.89 ALDH1A1 (0.36) PPARAALDH1A1TP53POLBMAPT
SCHEMBL5377477 0.87 PPARA (0.46) PPARAALDH1A1TP53MAPTFFAR1
SCHEMBL5377257 0.86 PPARA (0.41) PPARAALDH1A1TP53MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
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