SCHEMBL7541818

SCHEMBL7541818

COc1cn(Cc2ccc3cc(OCc4ccccc4)ccc3c2)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
P2RY14 Q15391 1/20 0.43
MAOB P27338 1/20 0.43
REV1 Q9UBZ9 1/20 0.43
GSTP1 P09211 2/20 0.42
PTPN1 P18031 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7549200 0.89 REV1 (0.49) MGAMGAASIMGAM2REV1
SCHEMBL7539595 0.86 MAOB (0.47) PDGFRBPDGFRAMGAMGAASI
SCHEMBL5387585 0.83 ALOX5 (0.49) ALOX5P2RY14MAOBGSTP1NPC1
SCHEMBL5382479 0.82 P2RY14 (0.47) ALOX5P2RY14MAOBGSTP1PTPN1
SCHEMBL5379303 0.82 ALOX5 (0.48) ALOX5P2RY14MAOBGSTP1NPC1
SCHEMBL6595113 0.78 PTGER3 (0.61) ALOX5GAAP2RY14GSTP1
SCHEMBL6595111 0.78 PTGER3 (0.61) ALOX5GAAP2RY14GSTP1
SCHEMBL28080889 0.77 GSTP1 (0.55) GAAMAOBGSTP1NPC1RAB9A
SCHEMBL5385300 0.77 LTB4R (0.47) ALOX5P2RY14
SCHEMBL5385296 0.76 PTGER3 (0.48) ALOX5P2RY14MAOBMEN1KMT2A

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