SCHEMBL9568767

SCHEMBL9568767

COc1cc(C(=O)O)ncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ASPH Q12797 4/20 0.50
KDM8 Q8N371 3/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
GPR35 Q9HC97 1/20 0.46
ALOX15 P16050 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
P4HTM Q9NXG6 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DDT P30046 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KMO O15229 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL17674991 0.88 KDM4E (0.46) KDM4EASPHKDM8ALDH1A1HPGD
SCHEMBL9318874 0.85 KDM4E (0.55) KDM4EASPHKDM8ALDH1A1HPGD
SCHEMBL29368707 0.85 GPR35 (0.49) KDM4EASPHKDM8ALDH1A1GPR35
SCHEMBL18009392 0.85 GPR35 (0.49) KDM4EASPHKDM8ALDH1A1GPR35
SCHEMBL17675046 0.82 KDM4E (0.41) KDM4EASPHKDM8GPR35ALOX15
SCHEMBL25235667 0.81 KDM4E (0.47) KDM4EASPHKDM8ALDH1A1HPGD
SCHEMBL4981534 0.81 NNMT (0.53) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL3527742 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL5008438 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL11590515 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDLCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548883-A1 Substituted pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed