SCHEMBL13612277

SCHEMBL13612277

CCCCC(CC)COC(=O)CCCCCCCCCCOc1ccc(C)cc1OCCCCCCCCCCC(=O)OCC(CC)CCCC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ ATM Q13315 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ CA2 P00918 1/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13933062 0.88 CYP3A4 (0.59) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL14566060 0.87 TDP1 (0.57) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL14566004 0.86 CYP3A4 (0.56) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL13933023 0.86 CYP3A4 (0.56) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL13933048 0.85 TSHR (0.55) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL13612297 0.85 CYP3A4 (0.64) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL13854811 0.84 CYP3A4 (0.58) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL13612275 0.83 DGKA (0.53) TSHRTDP1ALDH1A1CNR2PRSS1
SCHEMBL13612271 0.83 DGKA (0.53) TSHRTDP1ALDH1A1CNR2PRSS1
SCHEMBL14163937 0.83 DGKA (0.53) TSHRTDP1ALDH1A1CNR2PRSS1

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 4 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
US-7485604-B2 Lubricant composition and method for using and preparing thereof FUJIFILM CORPORATION (JP) 2009-02-03 — — US disclosed
US-20080134938-A1 Surface Treatment Method Employing Discotic Compound, (Lubricant) Composition to Be Used Surface Treatments, and Surface-Treated Articles FUJIFILM CORPORATION (JP) 2008-06-12 — — US disclosed
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