SCHEMBL9727459

SCHEMBL9727459

COc1ccc(Cc2oc3ccc(OCc4ccccc4)cc3c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
PKM P14618 1/20 0.58
CASP3 P42574 3/20 0.52
SENP8 Q96LD8 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
SENP6 Q9GZR1 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAOB P27338 3/20 0.50
ACHE P22303 1/20 0.50
ALOX5 P09917 1/20 0.50
MAOA P21397 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ANO1 Q5XXA6 3/20 0.48
MTNR1A P48039 3/20 0.48
MTNR1B P49286 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL23532065 0.83 L3MBTL1 (0.57) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL719690 0.83 L3MBTL1 (0.60) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL9739761 0.81 ALOX5 (0.59) NPC1RAB9AMEN1KMT2AALOX5
SCHEMBL3399151 0.81 L3MBTL1 (0.57) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL724161 0.77 L3MBTL1 (0.65) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL29958563 0.77 L3MBTL1 (0.65) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL718464 0.74 L3MBTL1 (0.58) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL720239 0.73 CASP3 (0.70) L3MBTL1PKMCASP3SENP8SENP7
SCHEMBL9740626 0.73 ALOX5 (0.45) MEN1KMT2AMAOBALOX5KDM4E
SCHEMBL26693543 0.73 CASP3 (0.66) L3MBTL1PKMCASP3SENP8SENP7

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-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed