SCHEMBL8562954

SCHEMBL8562954

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 14/20 0.57
PTGES O14684 4/20 0.52
ALOX5AP P20292 4/20 0.49
MAPT P10636 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP1A2 P05177 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
ALOX5 P09917 4/20 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
SCHEMBL9208334 0.92 PTGES2 (0.55) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL23270837 0.90 PTGES2 (0.64) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL30181561 0.90 PTGES2 (0.64) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL9047220 0.89 PTGES2 (0.61) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL9045434 0.88 PTGES2 (0.61) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL9221079 0.88 PTGES2 (0.54) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL8561632 0.85 PTGES2 (0.58) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL9044180 0.83 PTGES2 (0.80) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL9581088 0.82 PTGES2 (0.64) PTGES2PTGESALOX5APMAPTCYP3A4
SCHEMBL9581776 0.82 PTGES2 (0.64) PTGES2PTGESALOX5APMAPTCYP3A4

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 5 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
EP-0535925-B1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC (CA) 1996-04-24 EP disclosed
US-5374635-A Antiinflammatory agents, lipoxygenase inhibitor, antiallergens , cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1994-12-20 US disclosed
US-5308850-A (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0535925-A1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed