SCHEMBL7340338

SCHEMBL7340338

CCCCCCCCOc1ccc2cc(C(=O)OC)c(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 1.00
MAOA P21397 9/20 1.00
PPARG P37231 5/20 0.59
PPARA Q07869 4/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GLA P06280 2/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 2/20 0.59
CA12 O43570 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL27750409 1.00 MAOB (1.00) MAOBMAOAPPARGPPARAKDM4E
SCHEMBL27771306 0.88 MAOB (0.79) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL7334631 0.88 MAOB (0.79) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL31206415 0.87 MAOB (0.77) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL28918835 0.87 MAOB (0.77) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL24176813 0.87 MAOB (0.76) MAOBMAOAPPARGPPARAKDM4E
SCHEMBL31206399 0.86 MAOB (0.75) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL28918549 0.84 MAOB (0.72) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL31206367 0.83 MAOB (0.71) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL29022698 0.82 MAOB (0.69) MAOBMAOAKDM4EALDH1A1GLA

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 4 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
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed