SCHEMBL7976099

SCHEMBL7976099

CCOC(=O)COc1cc(OCC(=O)OCC)cc(C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
CREBBP Q92793 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44

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
SCHEMBL7976505 0.94 SMN1; SMN2 (0.48) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL7994043 0.91 HPGD (0.50) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL707685 0.83 GAA (0.64) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL5356914 0.82 SMN1; SMN2 (0.55) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL9081734 0.82 LMNA (0.46) GAAKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL1573002 0.82 SMN1; SMN2 (0.55) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL9701615 0.81 KMT2A (0.59) KDM4EALDH1A1SMN1; SMN2BRD4BRD2
SCHEMBL25824251 0.81 GAA (0.53) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL5361832 0.80 GAA (0.56) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL21109159 0.80 MEN1 (0.43) GAANPSR1KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed