SCHEMBL7338762

SCHEMBL7338762

CCCCCCCCCC(=O)NNC(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
POLB P06746 2/20 0.66
ALDH1A1 P00352 6/20 0.65
LMNA P02545 4/20 0.64
TDP1 Q9NUW8 3/20 0.60
KDM4E B2RXH2 2/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALPI P09923 1/20 0.50
CYP1A2 P05177 1/20 0.50
ATM Q13315 1/20 0.50
MGLL Q99685 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL10058954 0.91 GAA (0.85) GAAPOLBALDH1A1LMNATDP1
SCHEMBL8390619 0.86 GAA (0.78) GAAPOLBALDH1A1LMNATDP1
SCHEMBL8391803 0.86 GAA (0.78) GAAPOLBALDH1A1LMNATDP1
SCHEMBL8391658 0.86 GAA (0.78) GAAPOLBALDH1A1LMNATDP1
SCHEMBL8626754 0.86 GAA (0.78) GAAPOLBALDH1A1LMNATDP1
SCHEMBL6637333 0.83 POLB (0.81) GAAPOLBALDH1A1LMNATDP1
SCHEMBL8742513 0.83 ALPI (0.70) GAAPOLBALDH1A1LMNATDP1
SCHEMBL6538620 0.82 CYP4A11 (0.63) GAAPOLBALDH1A1TDP1KDM4E
SCHEMBL6539586 0.82 ALPI (0.59) GAAPOLBALDH1A1LMNATDP1
SCHEMBL8742478 0.82 GAA (0.67) GAAPOLBALDH1A1LMNATDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
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
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN 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
US-4952699-A Liquid-crystalline, 2,5-disubstituted, 1,3,4-thiadiazoles with extended smectic C phases VEB WERK FUER FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1990-08-28 US disclosed