SCHEMBL7989665

SCHEMBL7989665

CC(=O)OCc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GSK3B P49841 1/20 0.41
ADK P55263 1/20 0.41
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL7991764 0.87 GPR84 (0.38) GPR84ALDH1A1GSK3BADKMAPK13
SCHEMBL7991800 0.83 KDM4E (0.51) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL7991805 0.82 KDM4E (0.48) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL7989059 0.81 MAPT (0.51) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL7977835 0.81 RAB9A (0.43) POLBKMT2AMEN1
SCHEMBL7989339 0.80 MAPK14 (0.46) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7991880 0.80 MAPK14 (0.60) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7989973 0.79 GCGR (0.43) ALDH1A1GCGRPPARGPPARAKDM4E
SCHEMBL7995032 0.79 MAPK14 (0.58) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL7995767 0.77 KDM4E (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed