SCHEMBL8954599

SCHEMBL8954599

c1cc(C2CCCCO2)ccc1Oc1ccc(C2CCCCO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.55
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ PRKAG1 P54619 5/20 0.37
▸ PRKAA1 Q13131 5/20 0.37
▸ PRKAB1 Q9Y478 5/20 0.37
▸ PRKAA2 P54646 4/20 0.37
▸ PRKAB2 O43741 3/20 0.37
▸ PRKAG3 Q9UGI9 3/20 0.37
▸ PRKAG2 Q9UGJ0 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 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
SCHEMBL9336823 0.85 KCNH2 (0.52) KCNH2HRH3HPGDNPC1RAB9A
SCHEMBL12628033 0.81 KCNH2 (0.49) KCNH2HRH3POLBALDH1A1PRKAG1
SCHEMBL12628032 0.81 KCNH2 (0.49) KCNH2HRH3POLBALDH1A1PRKAG1
SCHEMBL19662088 0.81 KCNH2 (0.50) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL27761337 0.79 KCNH2 (0.51) KCNH2HRH3HPGDALDH1A1KDM1A
SCHEMBL11110219 0.78 KCNH2 (0.46) KCNH2HRH3HPGDPRKAG1PRKAA1
SCHEMBL5763242 0.78 KCNH2 (0.46) KCNH2HRH3POLBHPGDALDH1A1
SCHEMBL10421484 0.78 KCNH2 (0.46) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL21422741 0.78 KCNH2 (0.46) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL12541860 0.78 KCNH2 (0.46) KCNH2HRH3POLBPRKAG1PRKAA1

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-0398692-B1 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI & CO (JP) 1996-08-21 — — EP disclosed
US-5548078-A FOR AGRICULTURE SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1996-08-20 — — US disclosed
US-5401877-A Agricultural fungicide SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-28 — — US disclosed
EP-0629609-A1 Process for the preparation of Alkoxyiminoacetamide derivatives and an intermediate therefor SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-12-21 — — EP disclosed
US-5371222-A Intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 — — US disclosed
US-5371223-A Controlling phytopathogens SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 — — US disclosed
US-5185342-A ALKOXYIMINOACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-09 — — US disclosed
EP-0398692-A2 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-11-22 — — EP disclosed
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