SCHEMBL13612482

SCHEMBL13612482

CCOC(=O)CCC(=O)Oc1ccc(C)cc1OC(=O)CCC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALOX15 P16050 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NLRP3 Q96P20 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL14163920 0.84 ALOX15 (0.50) MAPTHSD17B10ALOX15MEN1KMT2A
SCHEMBL15547746 0.83 ALOX15 (0.58) MAPTHSD17B10ALOX15SMN1; SMN2MEN1
SCHEMBL15558301 0.82 ALOX15 (0.60) MAPTHSD17B10ALOX15SMN1; SMN2KMT2A
SCHEMBL15558256 0.82 ALOX15 (0.65) MAPTHSD17B10ALOX15SMN1; SMN2MEN1
SCHEMBL14363150 0.81 CYP1A2 (0.46) MAPTHSD17B10ALOX15SMN1; SMN2NLRP3
SCHEMBL31321628 0.81 ALOX15 (0.52) MAPTHSD17B10ALOX15SMN1; SMN2MEN1
SCHEMBL15557956 0.81 ALOX15 (0.63) MAPTHSD17B10ALOX15SMN1; SMN2MEN1
SCHEMBL15558542 0.81 ALOX15 (0.63) MAPTHSD17B10ALOX15SMN1; SMN2MEN1
SCHEMBL13612497 0.81 GAA (0.61) MAPTHSD17B10MEN1KMT2AL3MBTL1
SCHEMBL15558828 0.80 MAPT (0.48) MAPTHSD17B10ALOX15KMT2AL3MBTL1

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-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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