SCHEMBL13612597

SCHEMBL13612597

CCCCCCOCCOCCOC(=O)CCCCCCCCCCOc1ccc(N)cc1OCCCCCCCCCCC(=O)OCCOCCOCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
CNR2 P34972 4/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CNR1 P21554 2/20 0.42
SMPD1 P17405 3/20 0.41
PLA2G4B P0C869 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL13933063 1.00 DGKA (0.50) DGKACNR2NPC1MAPTRAB9A
SCHEMBL13933059 0.93 DGKA (0.51) DGKACNR2NPC1MAPTRAB9A
SCHEMBL13933060 0.93 DGKA (0.51) DGKACNR2NPC1MAPTRAB9A
SCHEMBL14163925 0.87 DGKA (0.51) DGKACNR2TSHRCNR1PLA2G4B
SCHEMBL13854957 0.87 DGKA (0.51) DGKACNR2TSHRCNR1PLA2G4B
SCHEMBL13933080 0.85 DGKA (0.55) DGKACNR2NPC1MAPTRAB9A
SCHEMBL14566061 0.85 CNR2 (0.52) DGKACNR2CNR1SMPD1PLA2G4B
SCHEMBL7747651 0.85 TSHR (0.50) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL7750765 0.85 TSHR (0.50) NPC1MAPTRAB9AALDH1A1TSHR
SCHEMBL7750781 0.85 TSHR (0.50) NPC1MAPTRAB9AALDH1A1TSHR

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