SCHEMBL13612602

SCHEMBL13612602

CCCCCCOCCOCCOc1ccc(Nc2nc(Nc3ccc(OCCOCCOCCCCCC)c(OCCOCCOCCCCCC)c3)nc(Nc3ccc(OCCOCCOCCCCCC)c(OCCOCCOCCCCCC)c3)n2)cc1OCCOCCOCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH3 Q9ULD8 2/20 0.39
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
EGFR P00533 1/20 0.39
SMPD1 P17405 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
C5 P01031 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL7041792 0.93 MAPT (0.44) MAPTHSD17B10KCNH3EHMT2EHMT1
SCHEMBL7045169 0.93 MAPT (0.44) MAPTHSD17B10KCNH3EHMT2EHMT1
SCHEMBL13612601 0.93 MAPT (0.44) MAPTHSD17B10KCNH3EHMT2EHMT1
SCHEMBL7046869 0.93 MAPT (0.44) MAPTHSD17B10KCNH3EHMT2EHMT1
SCHEMBL29555432 0.87 DGKA (0.44) MAPTHSD17B10SMPD1
SCHEMBL12764896 0.85 CNR2 (0.40) MAPTEHMT2EHMT1MEN1KMT2A
SCHEMBL13612600 0.82 SMPD1 (0.45) SMPD1C5
SCHEMBL13933194 0.82 MAPT (0.39) MAPTHSD17B10KCNH3EHMT2EHMT1
SCHEMBL13933193 0.79 EGFR (0.39) MAPTHSD17B10EHMT2EHMT1EGFR
SCHEMBL13955884 0.78 MAPT (0.52) MAPTEHMT2EHMT1EGFRMEN1

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-7622432-B2 Lubricant composition and triazine-ring-containing compound FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed