SCHEMBL9047849

SCHEMBL9047849

C=CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.62
ALOX5AP P20292 17/20 0.58
ALOX5 P09917 11/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C9 P11712 4/20 0.58
MEN1 O00255 3/20 0.58
USP2 O75604 3/20 0.58
TP53 P04637 3/20 0.58
CYP1A2 P05177 3/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 3/20 0.58
MAPK1 P28482 3/20 0.58
RECQL P46063 3/20 0.58
BLM P54132 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL167199 0.89 PTGES2 (0.66) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9044180 0.87 PTGES2 (0.80) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9254050 0.85 ALOX5AP (0.63) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9044519 0.84 ALOX5AP (0.79) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9581549 0.83 PTGES2 (0.70) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9447575 0.83 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL12014953 0.83 PTGES2 (0.57) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL1395500 0.82 PTGES2 (0.53) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL10264786 0.81 PTGES2 (0.56) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL176187 0.81 PTGES2 (0.56) PTGES2ALOX5APALOX5CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535925-B1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC (CA) 1996-04-24 EP disclosed
US-5389650-A Antiinflammatory agents, anticoagulants, antispasmodic agents MERCK FROSST CANADA, INC. (CA) 1995-02-14 US disclosed
WO-1994013662-A1 (AZAARYLMETHOXY)INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed
US-5308850-A (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
US-5290798-A Antihistamines, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1994-03-01 US disclosed
US-5273980-A Bicyclic-azaarylmethoxy) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-12-28 US disclosed
WO-1993016069-A1 (AZAAROMATICALKOXY)INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1993-08-19 WO disclosed
EP-0535924-A1 (Bicyclic-azaarylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
EP-0535923-A1 (Azaarylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
EP-0535926-A1 (Hetero-arylmethoxy) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
EP-0535925-A1 (Bicyclic-hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1993-04-07 EP disclosed
US-5190968-A Antiinflammatory MERCK FROSST CANADA, INC. (CA) 1993-03-02 US disclosed