SCHEMBL6268799

SCHEMBL6268799

CCCCCCCCCCCCO[C@H]1O[C@H]([C@H](C)NC(=O)Cc2ccc3c(c2)OCO3)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TAS1R3 Q7RTX0 4/20 0.37
▸ TAS1R1 Q7RTX1 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL6265820 0.85 TDP1 (0.39) CNR2ALDH1A1KMT2AMEN1HPGD
SCHEMBL6268776 0.77 ITGB1 (0.42) —
SCHEMBL6269540 0.76 PLA2G10 (0.34) KMT2AMEN1
SCHEMBL6683123 0.76 KMT2A (0.41) ALDH1A1KMT2AMEN1
SCHEMBL6270617 0.76 C5 (0.38) ALDH1A1KMT2AMEN1
SCHEMBL6277002 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HPGD
SCHEMBL6265775 0.74 KMT2A (0.34) ALDH1A1KMT2AMEN1
SCHEMBL6271684 0.74 KMT2A (0.36) CNR2ALDH1A1KMT2AMEN1
SCHEMBL6271654 0.74 S1PR1 (0.38) ALDH1A1KMT2AMEN1TRPV1
SCHEMBL6273322 0.74 KMT2A (0.37) ALDH1A1TAS1R3TAS1R1KMT2AMEN1

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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