SCHEMBL13612550

SCHEMBL13612550

CCCCCCCCCCCCOC(=O)CCC(=O)Oc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.51
▸ NAAA Q02083 1/20 0.49
▸ DGKA P23743 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.47

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
SCHEMBL13612543 1.00 HTR2C (0.51) HTR2CNAAADGKAKMT2AMEN1
SCHEMBL18087036 0.90 RARB (0.56) HTR2CNAAADGKAKMT2ASMN1; SMN2
SCHEMBL14163924 0.88 DGKA (0.54) DGKAKMT2AMEN1SMN1; SMN2TP53
SCHEMBL13612539 0.88 DGKA (0.54) DGKAKMT2AMEN1SMN1; SMN2TP53
SCHEMBL13854873 0.88 DGKA (0.50) DGKAKMT2ASMN1; SMN2TP53TSHR
SCHEMBL13612295 0.87 DGKA (0.59) DGKAKMT2AMEN1TP53TSHR
SCHEMBL13763460 0.87 TP53 (0.56) DGKAKMT2AMEN1TP53TSHR
SCHEMBL13933190 0.87 DGKA (0.59) DGKAKMT2AMEN1TP53TSHR
SCHEMBL12768699 0.87 DGKA (0.59) DGKAKMT2AMEN1TP53TSHR
SCHEMBL15793107 0.87 FAAH (0.56) HTR2CNAAADGKATP53TSHR

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-7622432-B2 Lubricant composition and triazine-ring-containing compound FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
US-20090118146-A1 IMPREGNATING OIL COMPOSITION FOR SINTERED BEARING, BEARING APPARATUS AND SLIDING MEMBER FUJIFILM CORPORATION (JP) 2009-05-07 — — US disclosed
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