SCHEMBL16401712

SCHEMBL16401712

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(C(C)C)cc5)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMP P19971 9/20 0.55
KDM4E B2RXH2 1/20 0.42
POLA1 P09884 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TYMS P04818 1/20 0.37
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY6 Q15077 1/20 0.37
NT5E P21589 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL21828784 0.89 TYMP (0.59) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL31556051 0.89 TYMP (0.59) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL12714672 0.89 TYMP (0.59) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL2281663 0.89 TYMP (0.59) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL3821714 0.89 TYMP (0.59) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL9017501 0.89 TYMP (0.58) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL9238078 0.89 TYMP (0.58) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL32677371 0.89 TYMP (0.58) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL31342955 0.88 TYMP (0.61) TYMPKDM4EPOLA1TAS1R3TAS1R1
SCHEMBL16401430 0.87 TYMP (0.53) TYMPKDM4EPOLA1TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004131-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM Chemicals Llc (US) 2016-04-13 EP disclosed
WO-2014197714-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2014-12-11 WO disclosed