SCHEMBL7336540

SCHEMBL7336540

CCCCCCCCOc1ccc2sc(C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.57
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 5/20 0.52
RARB P10826 3/20 0.50
PTPN11 Q06124 2/20 0.50
PLA2G2A P14555 1/20 0.50
PLA2G4A P47712 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
SCHEMBL5764549 0.85 TBXAS1 (0.56) TBXAS1TP53TSHR
SCHEMBL5564937 0.84 TBXAS1 (0.59) TBXAS1
SCHEMBL5559819 0.83 TBXAS1 (0.61) TBXAS1
SCHEMBL5564923 0.83 TBXAS1 (0.56) TBXAS1
SCHEMBL5564274 0.82 KDM4E (0.58) TBXAS1
SCHEMBL5565054 0.81 TBXAS1 (0.56) TBXAS1
SCHEMBL3498109 0.81 F9 (0.50) TBXAS1RARBPLA2G2A
SCHEMBL5566031 0.79 TBXAS1 (0.54) TBXAS1
SCHEMBL31207847 0.78 TBXAS1 (0.58) TBXAS1
SCHEMBL26109906 0.78 TBXAS1 (0.58) TBXAS1

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