SCHEMBL7336972

SCHEMBL7336972

CCCCCCCOc1ccc2cc(C=CC(=O)OC)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.55
FDPS P14324 1/20 0.52
PLA2G4A P47712 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
THRA P10827 1/20 0.49
TTR P02766 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12279445 1.00 APP (0.55) APPFDPSPLA2G4AMAOAMAOB
SCHEMBL7336967 1.00 APP (0.55) APPFDPSPLA2G4AMAOAMAOB
SCHEMBL1481227 0.96 FDPS (0.56) APPFDPSTTRKDM4EKMT2A
SCHEMBL1481225 0.96 FDPS (0.56) APPFDPSTTRKDM4EKMT2A
SCHEMBL9062933 0.89 ABCG2 (0.58) APP
SCHEMBL10334836 0.89 ABCG2 (0.58) APP
SCHEMBL22439078 0.89 ABCG2 (0.58) APP
SCHEMBL22439080 0.89 ABCG2 (0.58) APP
SCHEMBL3489100 0.89 ABCG2 (0.58) APP
SCHEMBL10334835 0.89 ABCG2 (0.58) APP

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