SCHEMBL9868574

SCHEMBL9868574

Cc1c(C(=O)O)oc2c(C(=O)c3ccc(Cl)cc3)cc(C(C)(C)C)c(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
ALOX5 P09917 1/20 0.39
NR4A1 P22736 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.36
SRD5A2 P31213 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9867950 0.90 NPC1 (0.38) MCL1ALOX5NPC1RAB9AL3MBTL1
SCHEMBL9867051 0.86 RAB9A (0.41) ALOX5NPC1RAB9AL3MBTL1MAPT
SCHEMBL9869017 0.79 ALOX5 (0.52) MCL1ALOX5NPC1RAB9ALMNA
SCHEMBL9867836 0.78 SIRT1 (0.46) NR4A1SIRT1NPC1RAB9AL3MBTL1
SCHEMBL9868498 0.78 GLRA3 (0.49) MCL1ALOX5L3MBTL1KDM4EMEN1
SCHEMBL9867508 0.78 NPC1 (0.45) ALOX5NPC1RAB9AL3MBTL1MAPT
SCHEMBL4115756 0.77 GLRA3 (0.50) NR4A1SIRT1NPC1RAB9ALMNA
SCHEMBL4123639 0.74 GLRA3 (0.57) ALOX5NR4A1SIRT1NPC1RAB9A
SCHEMBL11209332 0.71 KMT2A (0.47) NR4A1SIRT1NPC1RAB9AMAPT
SCHEMBL9869198 0.69 EDNRA (0.47) MCL1NPC1RAB9AL3MBTL1MAPT

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