SCHEMBL6202068

SCHEMBL6202068

O=C(O)c1cccc(-c2cc[c]cc2)c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.73
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ALB P02768 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MMP2 P08253 1/20 0.47
PTPN1 P18031 4/20 0.46
FTO Q9C0B1 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MYC P01106 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTPN6 P29350 2/20 0.42
PTPN2 P17706 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 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
SCHEMBL29662951 0.85 HNF4A (1.00) HNF4AALDH1A1HSD17B10ALBKDM4E
SCHEMBL73041 0.85 HNF4A (1.00) HNF4AALDH1A1HSD17B10ALBKDM4E
Bicarbonate SCHEMBL236888 0.83 HNF4A (0.96) HNF4AALDH1A1HSD17B10ALBKDM4E
SCHEMBL298628 0.83 HNF4A (0.53) HNF4AALDH1A1KDM4EHPGDMYC
Hydrochloric Acid SCHEMBL27574420 0.83 HNF4A (0.96) HNF4AALDH1A1HSD17B10ALBKDM4E
SCHEMBL5964729 0.83 HNF4A (0.96) HNF4AALDH1A1HSD17B10ALBKDM4E
SCHEMBL410536 0.83 HNF4A (0.96) HNF4AALDH1A1HSD17B10ALBKDM4E
SCHEMBL28302531 0.83 HNF4A (0.96) HNF4AALDH1A1HSD17B10ALBKDM4E
SCHEMBL9065313 0.82 HNF4A (0.49) HNF4AALDH1A1HSD17B10AKR1C3MYC
SCHEMBL9786926 0.81 HNF4A (0.92) HNF4AALDH1A1HSD17B10ALBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed