SCHEMBL11528010

SCHEMBL11528010

CCC(CC(C)C)Nc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
GAA P10253 6/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 7/20 0.47
CTSK P43235 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ANPEP P15144 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL11528967 0.88 PKM (0.49) PKMGAAMAPTALDH1A1CTSK
SCHEMBL11528155 0.87 PKM (0.57) PKMGAAMAPTALDH1A1L3MBTL1
SCHEMBL11533485 0.85 EPHX2 (0.43) GAAALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL11529595 0.83 EPHX2 (0.42) ALDH1A1L3MBTL1KDM4ETDP1THRB
SCHEMBL11530295 0.83 KDM4E (0.43) GAAALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL11535720 0.81 TAS1R3 (0.51) PKMGAAMAPTALDH1A1L3MBTL1
SCHEMBL11527791 0.80 ALDH1A1 (0.58) GAAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL11532725 0.78 ALDH1A1 (0.72) PKMGAAMAPTALDH1A1L3MBTL1
SCHEMBL20632768 0.78 ALDH1A1 (0.72) PKMGAAMAPTALDH1A1L3MBTL1
SCHEMBL16521818 0.77 PKM (0.48) PKMGAAMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161474-A STABILIZERS, ANTIOZONANTS FOR VULCANIZABLE DIENE RUBBERS MONSANTO COMPANY (US) 1979-07-17 US disclosed