SCHEMBL9288153

SCHEMBL9288153

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 10/20 0.60
PTGES O14684 3/20 0.60
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
ALOX5AP P20292 8/20 0.46
ALOX5 P09917 4/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PLA2G2A P14555 1/20 0.43

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
SCHEMBL23270813 0.92 PTGES2 (0.62) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL30181343 0.92 PTGES2 (0.62) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL30770982 0.91 PTGES2 (0.58) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23270776 0.91 PTGES2 (0.58) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL25968363 0.89 PTGES2 (0.64) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL30181561 0.87 PTGES2 (0.64) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23270837 0.87 PTGES2 (0.64) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL25970457 0.85 PTGES2 (0.51) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL23270793 0.84 PTGES2 (0.73) PTGES2PTGESPTGS1PTGS2ALOX5AP
SCHEMBL30181215 0.84 PTGES2 (0.73) PTGES2PTGESPTGS1PTGS2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
WO-1994013293-A2 (QUINOLIN-2-YLMETHOXY)INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0419049-A1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1991-03-27 EP disclosed