SCHEMBL7330857

SCHEMBL7330857

COCCCCCCOc1ccc(-c2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
PPARA Q07869 3/20 0.50
POLB P06746 1/20 0.50
TBXAS1 P24557 2/20 0.49
RARB P10826 3/20 0.49
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
ALB P02768 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
SCHEMBL7339566 1.00 THRB (0.56) THRBATMPPARAPOLBTBXAS1
SCHEMBL7330850 1.00 THRB (0.56) THRBATMPPARAPOLBTBXAS1
SCHEMBL7336877 1.00 THRB (0.56) THRBATMPPARAPOLBTBXAS1
SCHEMBL7336888 1.00 THRB (0.56) THRBATMPPARAPOLBTBXAS1
SCHEMBL7339570 1.00 THRB (0.56) THRBATMPPARAPOLBTBXAS1
SCHEMBL7956696 0.89 RARB (0.63) THRBATMPOLBRARBBCHE
SCHEMBL7956701 0.89 RARB (0.63) THRBATMPOLBRARBBCHE
SCHEMBL27467886 0.88 CA12 (0.51) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL27548445 0.88 CA12 (0.51) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3806005 0.87 RARB (0.61) THRBATMPOLBRARBBCHE

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