SCHEMBL5380398

SCHEMBL5380398

Cc1n[nH]cc1C(Oc1ccc(CO)cc1)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 3/20 0.34
AHR P35869 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 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
SCHEMBL6035227 0.87 LMNA (0.36) TSHRAHRKDM4ELMNASLC6A3
SCHEMBL6034579 0.85 FFAR1 (0.46) LMNA
SCHEMBL4033999 0.81 KDM4E (0.40) TSHRAHRKDM4ELMNASLC6A3
SCHEMBL5376445 0.76 PPARG (0.34) PPARGPPARALMNACYP2C9GAA
SCHEMBL4036792 0.73 MAPT (0.52) TSHRAHRKDM4ELMNASLC6A3
SCHEMBL118224 0.63 LTA4H (0.57) PPARGPPARATSHRLTA4HF2
SCHEMBL3543339 0.60 LTA4H (0.58) TSHRLTA4HMEN1KMT2AALDH1A1
SCHEMBL24126990 0.60 TSHR (0.55) TSHRKDM4ELMNASLC6A3CYP3A4
SCHEMBL1733690 0.59 PARP10 (0.60) TSHRKDM4ELMNACYP3A4CYP2C9
SCHEMBL10334730 0.59 KCNA5 (0.46) TSHRKDM4ELMNASLC6A3ABCB11

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