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SCHEMBL6272082

SCHEMBL6272082

CCCCCCCCCCCCOC(=O)CCC(=O)N[C@@H](C)[C@H]1O[C@H](O)[C@H]2OC(C)(C)O[C@@H]12.CCCCCCCCCCCCO[C@H]1O[C@H]([C@H](C)NC(=O)CCC(=O)OCC)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ PRKCA P17252 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6265775 0.94 KMT2A (0.34) NOD1MAPK1HTR2CEPHX2KMT2A
SCHEMBL6269541 0.91 HTR2C (0.38) NOD1MAPK1HTR2CEPHX2KMT2A
SCHEMBL6271515 0.73 KMT2A (0.33) MAPK1EPHX2KMT2AMEN1
SCHEMBL6265820 0.73 TDP1 (0.39) KMT2AMEN1
SCHEMBL6266444 0.73 MEN1 (0.32) MAPK1KMT2AMEN1
SCHEMBL6267413 0.72 LMNA (0.30) —
SCHEMBL6268810 0.71 MEN1 (0.31) MAPK1KMT2AMEN1CA12CA1
SCHEMBL6272357 0.70 KMT2A (0.42) MAPK1KMT2AMEN1
SCHEMBL6683123 0.69 KMT2A (0.41) MAPK1EPHX2KMT2AMEN1
SCHEMBL6270320 0.69 MAPK1 (0.43) MAPK1KMT2AMEN1

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
WO-2005092907-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-CANCER AND ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 — — WO disclosed
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