SCHEMBL5756550

SCHEMBL5756550

c1ccc(COc2cccc(-c3nc(COc4ccc(CCCn5ccnc5)cc4)co3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.57
FFAR1 O14842 3/20 0.49
QPCT Q16769 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE4B Q07343 1/20 0.47
TLR9 Q9NR96 1/20 0.46
CYP19A1 P11511 1/20 0.44
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
PPARA Q07869 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL5759324 0.92 HMOX1 (0.53) HMOX1FFAR1QPCTKDM4EALDH1A1
SCHEMBL5759974 0.92 HMOX1 (0.62) HMOX1FFAR1QPCTKDM4EALDH1A1
SCHEMBL5760668 0.91 FFAR1 (0.59) HMOX1FFAR1QPCTKDM4EALDH1A1
SCHEMBL5761300 0.90 PPARA (0.51) HMOX1FFAR1KDM4EALDH1A1GAA
SCHEMBL5761107 0.90 HMOX1 (0.52) HMOX1FFAR1QPCTKDM4EALDH1A1
SCHEMBL5760342 0.89 HMOX1 (0.61) HMOX1FFAR1QPCTKDM4EALDH1A1
SCHEMBL5758954 0.89 FFAR1 (0.51) HMOX1FFAR1QPCTTLR9CYP19A1
SCHEMBL5762143 0.88 FFAR1 (0.58) HMOX1FFAR1KDM4EALDH1A1GAA
SCHEMBL5759018 0.88 HMOX1 (0.50) HMOX1FFAR1KDM4EALDH1A1GAA
SCHEMBL5762209 0.85 HMOX1 (0.50) HMOX1FFAR1QPCTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed