SCHEMBL7994043

SCHEMBL7994043

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5A P35218 1/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
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
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
CREBBP Q92793 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 0.91 GAA (0.51) HPGDGAANPSR1KDM4EHSD17B10
SCHEMBL7976505 0.85 SMN1; SMN2 (0.48) HPGDGAANPSR1KDM4EHSD17B10
SCHEMBL9525522 0.84 CA5A (0.57) HPGDCA12CA1CA2CA7
SCHEMBL15601402 0.83 GAA (0.50) HPGDCA12CA1CA2CA7
SCHEMBL7991107 0.81 CA5A (0.53) HPGDCA5AHSD17B10MAPT
SCHEMBL15577486 0.79 GAA (0.48) HPGDGAANPSR1KDM4EHSD17B10
SCHEMBL707685 0.78 GAA (0.64) HPGDGAANPSR1KDM4EHSD17B10
SCHEMBL5361832 0.75 GAA (0.56) HPGDGAANPSR1KDM4EHSD17B10
SCHEMBL2010997 0.75 HPGD (0.70) HPGDGAANPSR1KDM4EHSD17B10
SCHEMBL28494202 0.74 CA5A (0.53) CA12CA1CA2CA7CA9

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