SCHEMBL6199541

SCHEMBL6199541

CCCCCCN(C)CCO[C]=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
DNM1 Q05193 4/20 0.41
KDM5A P29375 6/20 0.40
GGPS1 O95749 4/20 0.40
KDM4C Q9H3R0 5/20 0.39
PHF8 Q9UPP1 2/20 0.39
FDPS P14324 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM4A O75164 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL5542805 0.92 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL5540482 0.92 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL5542148 0.84 S1PR2 (0.36) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL7793535 0.77
SCHEMBL2862726 0.77 CA1 (0.43)
SCHEMBL68307 0.77 CA1 (0.43)
SCHEMBL55803 0.77 CA1 (0.43)
SCHEMBL157306 0.77 CA1 (0.43)
SCHEMBL2861027 0.77 CA1 (0.43)
SCHEMBL2855857 0.77 CA1 (0.43)

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 12 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-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 EP 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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed