SCHEMBL8561632

SCHEMBL8561632

COC(=O)C(C)(C)Cc1c(CC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 14/20 0.58
CYP3A4 P08684 5/20 0.48
CYP2C9 P11712 5/20 0.48
MAPT P10636 5/20 0.48
CYP1A2 P05177 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
CYP2C19 P33261 3/20 0.48
HIF1A Q16665 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PTGES O14684 3/20 0.48
ALOX5 P09917 4/20 0.44
MEN1 O00255 3/20 0.44
USP2 O75604 3/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 3/20 0.44
ALOX15 P16050 3/20 0.44
MAPK1 P28482 3/20 0.44

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
SCHEMBL9045434 0.89 PTGES2 (0.61) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL30181561 0.87 PTGES2 (0.64) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL23270837 0.87 PTGES2 (0.64) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL8562954 0.85 PTGES2 (0.57) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL9044180 0.84 PTGES2 (0.80) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL9208334 0.83 PTGES2 (0.55) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL9581088 0.83 PTGES2 (0.64) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL9581776 0.83 PTGES2 (0.64) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL9221079 0.83 PTGES2 (0.54) PTGES2CYP3A4CYP2C9MAPTCYP1A2
SCHEMBL9581704 0.82 PTGES2 (0.63) PTGES2CYP3A4CYP2C9MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691972-B1 FURO 3,2-b]PYRIDINES AND THIENO 3,2-b]PYRIDINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 1998-07-01 EP disclosed
US-5374635-A Antiinflammatory agents, lipoxygenase inhibitor, antiallergens , cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1994-12-20 US disclosed