SCHEMBL7329322

SCHEMBL7329322

O=C(c1ccc(-c2ccc(OCCCCCOc3ccccc3)cc2)cc1)n1n[n+]([O-])c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HDAC3 O15379 10/20 0.45
HDAC4 P56524 10/20 0.45
HDAC1 Q13547 10/20 0.45
HDAC7 Q8WUI4 10/20 0.45
HDAC2 Q92769 10/20 0.45
HDAC10 Q969S8 10/20 0.45
HDAC11 Q96DB2 10/20 0.45
HDAC8 Q9BY41 10/20 0.45
HDAC6 Q9UBN7 10/20 0.45
HDAC9 Q9UKV0 10/20 0.45
HDAC5 Q9UQL6 10/20 0.45
RARB P10826 3/20 0.43
PIN1 Q13526 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL7334813 0.93 GAA (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7281457 0.93 GAA (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7334129 0.93 GAA (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL7293050 0.93 GAA (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7282914 0.92 MGAM (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL7334176 0.91 MGAM (0.56) MGAMAMY1AGAASIMGAM2
SCHEMBL7339646 0.89 MGAM (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL7340997 0.88 MGAM (0.42) MGAMAMY1AGAASIMGAM2
SCHEMBL7340170 0.87 MAPT (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL7611519 0.86 HPGD (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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