SCHEMBL11528155

SCHEMBL11528155

CCC(CC)Nc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
GAA P10253 5/20 0.52
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.52
THRB P10828 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
RECQL P46063 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL11535720 0.89 TAS1R3 (0.51) PKMGAAMAPTL3MBTL1KDM4E
SCHEMBL11528010 0.87 PKM (0.50) PKMGAAMAPTL3MBTL1KDM4E
SCHEMBL11528967 0.86 PKM (0.49) PKMGAAMAPTL3MBTL1KDM4E
SCHEMBL16521818 0.84 PKM (0.48) PKMGAAMAPTL3MBTL1KDM4E
SCHEMBL7937151 0.84 TDP1 (0.59) PKML3MBTL1MAPK1THRBTDP1
SCHEMBL8996178 0.83 PKM (0.57) PKMMAPTL3MBTL1KDM4EMAPK1
SCHEMBL8996151 0.83 PKM (0.57) PKMMAPTL3MBTL1KDM4EMAPK1
SCHEMBL8996240 0.82 PKM (0.56) PKMMAPTL3MBTL1NPC1RAB9A
SCHEMBL8996236 0.82 PKM (0.56) PKMMAPTL3MBTL1NPC1RAB9A
SCHEMBL11532725 0.82 ALDH1A1 (0.72) PKMGAAMAPTL3MBTL1KDM4E

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-9758477-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2017-09-12 US disclosed
US-4161474-A STABILIZERS, ANTIOZONANTS FOR VULCANIZABLE DIENE RUBBERS MONSANTO COMPANY (US) 1979-07-17 US disclosed