SCHEMBL7976505

SCHEMBL7976505

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL7976099 0.94 GAA (0.51) SMN1; SMN2GAANPSR1KDM4EHSD17B10
SCHEMBL9081734 0.91 LMNA (0.46) GAAKDM4EHSD17B10MEN1KMT2A
SCHEMBL7994043 0.85 HPGD (0.50) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL5356914 0.80 SMN1; SMN2 (0.55) SMN1; SMN2GAANPSR1KDM4EHSD17B10
SCHEMBL1573002 0.80 SMN1; SMN2 (0.55) SMN1; SMN2GAANPSR1KDM4EHSD17B10
SCHEMBL707685 0.78 GAA (0.64) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL21241110 0.76 SMN1; SMN2 (0.51) SMN1; SMN2GAANPSR1KDM4EHSD17B10
SCHEMBL9701615 0.76 KMT2A (0.59) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL5960627 0.76 ALDH1A1 (0.56) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL25824251 0.76 GAA (0.53) SMN1; SMN2GAANPSR1KDM4EHSD17B10

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