SCHEMBL7339443

SCHEMBL7339443

COCCCCCCCCOc1ccc2cc(C(=O)OC)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
RAB9A P51151 1/20 0.51
PTPN11 Q06124 1/20 0.51
THRA P10827 1/20 0.51
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HGFAC Q04756 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL7333412 0.90 MAPT (0.55) MAPTRAB9APTPN11THRAGAA
SCHEMBL3879952 0.89 MAPT (0.71) MAPTRAB9APTPN11KDM4EHGFAC
SCHEMBL14548509 0.88 MAPT (0.60) MAPTRAB9APTPN11THRAMAOA
SCHEMBL7331781 0.88 KDM4E (0.63) THRAGAAKDM4E
SCHEMBL10295289 0.86 MAPT (0.77) MAPTRAB9AGAAKDM4EL3MBTL1
SCHEMBL6132720 0.86 MAPT (0.77) MAPTRAB9AGAAKDM4EL3MBTL1
SCHEMBL7324122 0.86 MAPT (0.77) MAPTRAB9AGAAKDM4EL3MBTL1
SCHEMBL6132617 0.86 MAPT (0.77) MAPTRAB9AGAAKDM4EL3MBTL1
SCHEMBL5693928 0.85 MAPT (0.60) MAPTRAB9APTPN11GAAHGFAC
SCHEMBL15693338 0.84 MAPT (0.79) MAPTRAB9AGAAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed