SCHEMBL7991764

SCHEMBL7991764

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.38
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
MAPK13 O15264 1/20 0.37
GCGR P47871 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
ALOX5 P09917 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34

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
SCHEMBL7989665 0.87 GPR84 (0.43) GPR84GSK3BADKMAPK13GCGR
SCHEMBL7991844 0.83 MAPK14 (0.51) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7995651 0.81 SIRT2 (0.41) GCGRALOX5SMN1; SMN2TP53MAPT
SCHEMBL7977835 0.79 RAB9A (0.43) NPC1MAPK1RAB9AL3MBTL1MEN1
SCHEMBL7992017 0.78 NPBWR1 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7989585 0.76 TARBP2 (0.46) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7995767 0.75 KDM4E (0.49) ALDH1A1LMNASMN1; SMN2KDM4ENPC1
SCHEMBL7988490 0.74 MAPK14 (0.53) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7977974 0.74 ALOX5 (0.49) GCGRALDH1A1CYP2C19ALOX5GABRA2
SCHEMBL7989869 0.74 KDM4E (0.43) MAPK13GCGRMAPK12MAPK11MAPK14

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