SCHEMBL5377480

SCHEMBL5377480

COc1cc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc(OCc2csc(-c3cnccn3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.40
PPARA Q07869 4/20 0.40
F2 P00734 3/20 0.36
PPARG P37231 4/20 0.36
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
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SHMT1 P34896 1/20 0.34
PTPRB P23467 1/20 0.34

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
SCHEMBL5397120 0.94 PPARA (0.38) F2RL3PPARAPPARGCPT2CPT1A
SCHEMBL5384867 0.94 PPARA (0.39) F2RL3PPARAPPARGCPT2CPT1A
SCHEMBL5372440 0.93 F2RL3 (0.38) F2RL3PPARAF2PPARGCPT2
SCHEMBL5387592 0.90 FFAR1 (0.41) CPT2CPT1ACPT1BFFAR1FFAR4
SCHEMBL5372063 0.88 ALDH1A1 (0.39) F2RL3PPARAPPARGCPT2CPT1A
SCHEMBL5454293 0.88 PPARA (0.37) F2RL3PPARAPPARGCPT2CPT1A
SCHEMBL5377477 0.87 PPARA (0.46) PPARAPPARGFFAR1FFAR4ALDH1A1
SCHEMBL5380915 0.86 ALDH1A1 (0.36) F2RL3PPARAPPARGCPT2CPT1A
SCHEMBL5377142 0.85 PPARA (0.45) PPARAPPARGFFAR1FFAR4ALDH1A1
SCHEMBL5382597 0.83 ALDH1A1 (0.41) PPARACPT2CPT1ACPT1BKLKB1

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