SCHEMBL9867484

SCHEMBL9867484

COc1ccc(C(=O)c2cccs2)c2occ(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
SLC6A9 P48067 2/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL9866757 0.84 CYP2C9 (0.42) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL9864126 0.84 USP2 (0.47) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL9866645 0.78 EDNRA (0.50) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL9867629 0.78 ALDH1A1 (0.44) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL10439771 0.76 MAPT (0.47) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL9866780 0.74 ALOX5 (0.55) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL9867900 0.74 HPGD (0.44) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL30785082 0.73 L3MBTL1 (0.53) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL9867830 0.73 ALOX5 (0.43) MAPTKMT2AHPGDMEN1NPC1
SCHEMBL12475645 0.72 MAPT (0.61) MAPTKMT2AHPGDMEN1NPC1

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
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed