SCHEMBL6277002

SCHEMBL6277002

CCCCCCCCCCCCO[C@H]1O[C@H]([C@H](C)NC(=S)Nc2ccc(CC(=O)OC)cc2)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 5/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL6272354 0.93 KMT2A (0.40) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6683123 0.93 KMT2A (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6271846 0.87 KMT2A (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6265424 0.86 MAPT (0.40) ALDH1A1MAPTKMT2AMEN1
SCHEMBL6270024 0.85 KMT2A (0.40) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6272357 0.85 KMT2A (0.42) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6276839 0.84 KMT2A (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6271663 0.84 KMT2A (0.40) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL6265364 0.81 KMT2A (0.37) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6266442 0.80 CCKBR (0.39) ALDH1A1MAPTKMT2AMEN1GAA

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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