SCHEMBL6196533

SCHEMBL6196533

[CH2]CC/C=C/c1ccc(OCCCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ NR5A1 Q13285 1/20 0.50
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LTA4H P09960 2/20 0.45
▸ CHRNA7 P36544 2/20 0.45
▸ CHRNA10 Q9GZZ6 2/20 0.45
▸ CHRNA9 Q9UGM1 2/20 0.45
▸ PLA2G4B P0C869 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ APP P05067 5/20 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
SCHEMBL6196538 1.00 AHR (0.50) AHRNR5A1TP53TSHRLTA4H
SCHEMBL13464287 0.89 NR5A1 (0.54) AHRNR5A1TP53TSHRLTA4H
SCHEMBL9113991 0.85 AHR (0.42) AHRNR5A1TP53TSHRCHRNA7
SCHEMBL9113997 0.85 AHR (0.42) AHRNR5A1TP53TSHRCHRNA7
SCHEMBL7340097 0.84 AHR (0.49) AHRNR5A1TP53TSHRLTA4H
SCHEMBL23998046 0.84 AHR (0.67) AHRNR5A1TP53TSHRLTA4H
SCHEMBL2044215 0.84 AHR (0.67) AHRNR5A1TP53TSHRLTA4H
SCHEMBL2042216 0.84 AHR (0.67) AHRNR5A1TP53TSHRLTA4H
SCHEMBL12312180 0.84 AHR (0.67) AHRNR5A1TP53TSHRLTA4H
SCHEMBL2043353 0.84 AHR (0.67) AHRNR5A1TP53TSHRLTA4H

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 8 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
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
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