SCHEMBL7333360

SCHEMBL7333360

CCCCCCOc1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.62
PLAU P00749 4/20 0.62
CHEK2 O96017 7/20 0.61
HDAC6 Q9UBN7 6/20 0.60
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
HDAC3 O15379 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC4 P56524 4/20 0.56
HDAC7 Q8WUI4 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC11 Q96DB2 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
SIRT2 Q8IXJ6 2/20 0.55
SIRT1 Q96EB6 1/20 0.55

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
SCHEMBL7333347 0.92 SMN1; SMN2 (0.54) PLGPLAUCHEK2HDAC6MMP2
SCHEMBL7334131 0.90 PLG (0.66) PLGPLAUCHEK2HDAC6
SCHEMBL20982471 0.84 MMP2 (0.78) CHEK2HDAC6MMP2MMP9MMP8
SCHEMBL7334119 0.82 RARB (0.62) PLGPLAUCHEK2
SCHEMBL18229635 0.81 HDAC6 (0.80) PLGPLAUCHEK2HDAC6HDAC3
SCHEMBL15986573 0.80 CHEK2 (0.65) CHEK2HDAC6MMP2MMP9MMP8
SCHEMBL5222037 0.80 MMP2 (0.75) CHEK2HDAC6MMP2MMP9MMP8
SCHEMBL19763371 0.80 CHEK2 (0.72) CHEK2HDAC6MMP2MMP9MMP8
SCHEMBL6178274 0.79 SIRT2 (0.67) CHEK2HDAC6MMP2MMP9MMP8
SCHEMBL17950878 0.79 CHEK2 (0.69) CHEK2HDAC6MMP2MMP9MMP8

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