SCHEMBL11526403

SCHEMBL11526403

CCCCC(C)Nc1ccc(OCCOc2ccc(NC(C)CCCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 2/20 0.43
EPHX2 P34913 1/20 0.43
PTGES O14684 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL11531871 0.97 SLC2A1 (0.48) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11525632 0.97 NPC1 (0.50) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11528467 0.95 NPC1 (0.49) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11527989 0.95 SLC2A1 (0.55) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11526412 0.92 SLC2A1 (0.51) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11529059 0.92 NPC1 (0.53) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11533171 0.90 L3MBTL1 (0.48) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11533241 0.88 L3MBTL1 (0.47) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11532572 0.88 NPC1 (0.47) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11534494 0.87 NPC1 (0.46) SLC2A1NPC1RAB9AL3MBTL1ALDH1A1

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