SCHEMBL22762718

SCHEMBL22762718

C[C@]12OC3COC(c4ccccc4)O[C@H]3C(O)C1O2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK1 P28482 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL9299409 0.80 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL9298104 0.80 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL9299015 0.80 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL9299593 0.80 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL12530571 0.79 MEN1 (0.51) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL12530947 0.78 KMT2A (0.52) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL7155506 0.77 KMT2A (0.57) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL12347609 0.75 KMT2A (0.61) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL12886280 0.75 KMT2A (0.69) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL769489 0.75 KMT2A (0.61) KMT2AMEN1L3MBTL1ALDH1A1MAPT

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-2020243815-A1 TETRASACCHARIDES FOR THE DIAGNOSIS, PREVENTION, AND TREATMENT OF MELIOIDOSIS AND GLANDERS INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2020-12-10 — — WO disclosed
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