SCHEMBL6201884

SCHEMBL6201884

Nc1cc(O)[c]cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
TDP1 Q9NUW8 6/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
IDO1 P14902 1/20 0.42
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PPM1B O75688 1/20 0.41
ALDH1A1 P00352 7/20 0.39
CYP3A4 P08684 4/20 0.39
MAPT P10636 4/20 0.39
THRB P10828 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP7 P55210 3/20 0.39
RECQL P46063 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
PTGS2 P35354 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL6631206 0.80 ALDH1A1 (0.37) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL6199351 0.78 ALDH1A1 (0.45) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL6631336 0.74 CA1 (0.45) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL987442 0.71 IDO1 (0.62) KDM4ETDP1KMT2AMEN1IDO1
SCHEMBL29069489 0.69 IDO1 (0.60) KDM4ETDP1KMT2AMEN1IDO1
SCHEMBL1553594 0.69 IDO1 (0.60) KDM4ETDP1KMT2AMEN1IDO1
SCHEMBL2193090 0.69 PPM1B (0.55) KDM4ETDP1KMT2AMEN1IDO1
SCHEMBL1552376 0.67 IDO1 (0.58) KDM4ETDP1KMT2AMEN1IDO1
SCHEMBL9698991 0.67 IDO1 (0.58) KDM4ETDP1KMT2AMEN1IDO1
SCHEMBL24417899 0.67 IDO1 (0.52) KDM4ETDP1KMT2AMEN1IDO1

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