SCHEMBL27586182

SCHEMBL27586182

CC1O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@H]3[C@H](O)[C@@H]2O1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ LMNA P02545 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PDCD1 Q15116 2/20 0.32
▸ CD274 Q9NZQ7 2/20 0.32

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
SCHEMBL6883007 1.00 KMT2A (0.62) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL17590137 1.00 KMT2A (0.62) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL12659164 1.00 KMT2A (0.62) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL7150024 0.90 KMT2A (0.63) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL17590134 0.87 KMT2A (0.50) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL12659165 0.87 KMT2A (0.50) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL29306273 0.87 KMT2A (0.60) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL13380989 0.83 KMT2A (0.69) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL13743115 0.83 KMT2A (0.69) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19
SCHEMBL10238940 0.83 KMT2A (0.69) KMT2AMEN1L3MBTL1ALDH1A1CYP2C19

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
CN-1422862-A 3,6 branched manno oligose structure used as medicine and its preparation method ECOLOGICAL ENVIRONMENT RES CT (CN) 2003-06-11 — — CN disclosed
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