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SCHEMBL19362174

SCHEMBL19362174

COc1ccc(C(OC[C@]23O[C@@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)[C@@H](O[C@H]2C)C3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.48
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HINT1 P49773 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
SCHEMBL22408789 1.00 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL24513002 0.86 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL1096942 0.86 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL19362152 0.86 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL22408783 0.84 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL22408784 0.84 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL1665976 0.84 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL1666142 0.84 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19362144 0.84 TYMP (0.37) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL21160998 0.84 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1

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-2017157672-A1 ACYL-PROTECTED L-LNA-GUANOSINE MONOMERS ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2017-09-21 — — WO disclosed
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