SCHEMBL7991107

SCHEMBL7991107

CC(=O)c1cc(O)cc(OCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.53
PPARD Q03181 1/20 0.49
HPGD P15428 1/20 0.47
PTPRB P23467 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PTPN7 P35236 1/20 0.45
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL4585878 0.83 CA12 (0.59) HPGDPTPRBHSD17B10THRATHRB
SCHEMBL29184158 0.83 LMNA (0.60) PPARDHPGDPTPRBHSD17B10SMN1; SMN2
SCHEMBL9525522 0.82 CA5A (0.57) CA5AHPGDHSD17B10SMN1; SMN2ALOX15
SCHEMBL7994043 0.81 HPGD (0.50) CA5AHPGDHSD17B10MAPT
SCHEMBL28494202 0.79 CA5A (0.53) CA5ALMNAMAOB
SCHEMBL6943448 0.79 MAOB (0.70) SMN1; SMN2MAOBCYP19A1
SCHEMBL13703965 0.78 CA5A (0.52) CA5ALMNAMAOBMAPTTSHR
SCHEMBL12523929 0.77 CA5A (0.50) CA5APPARDLMNAMAOBMAPT
SCHEMBL16471653 0.77 L3MBTL1 (0.50) CA5AMAPT
SCHEMBL4060556 0.76 MAOB (0.67) SMN1; SMN2ALOX15LMNAMAOBMAPT

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