SCHEMBL9458095

SCHEMBL9458095

CCOC(=O)Cc1c(Sc2ccccc2)c2cc(C(C)C)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PTGES2 Q9H7Z7 8/20 0.54
ALOX5 P09917 8/20 0.54
ALOX5AP P20292 6/20 0.54
PTGES O14684 5/20 0.54
MEN1 O00255 4/20 0.54
CYP3A4 P08684 4/20 0.54
ALOX15 P16050 4/20 0.54
RECQL P46063 4/20 0.54
BLM P54132 4/20 0.54
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 4/20 0.54
USP2 O75604 3/20 0.54
TP53 P04637 3/20 0.54
CYP1A2 P05177 3/20 0.54
POLB P06746 3/20 0.54
CYP2C9 P11712 3/20 0.54
HPGD P15428 3/20 0.54

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
SCHEMBL9458153 0.89 PTGES2 (0.59) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL9458293 0.88 MAPT (0.56) MAPTLMNAL3MBTL1PTGES2ALOX5AP
SCHEMBL9720938 0.85 MEN1 (0.53) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL9458248 0.84 PTGES2 (0.58) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL9457746 0.82 PTGES2 (0.80) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL10697927 0.81 PTGES2 (0.50) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL9457509 0.81 PTGES2 (0.79) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL9457655 0.81 PTGES2 (0.66) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL9669226 0.80 MEN1 (0.58) MAPTLMNAPTGES2ALOX5ALOX5AP
SCHEMBL23641193 0.78 ALOX5 (0.67) MAPTLMNAPTGES2ALOX5ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225421-A Leukotriene antagonists; cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1993-07-06 US disclosed
EP-0275667-B1 3-HETERO-SUBSTITUTED-N-BENZYL-INDOLES MERCK FROSST CANADA INC. (CA) 1992-03-18 EP disclosed
US-5081138-A Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0275667-A1 3-hetero-substituted-N-benzyl-indoles MERCK FROSST CANADA INC. (CA) 1988-07-27 EP disclosed