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SCHEMBL19362152

SCHEMBL19362152

COc1ccc(C(OC[C@]23CO[C@@H](C2O)[C@H](n2cnc4c(=O)[nH]c(NC(=O)C(C)C)nc42)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ PDE9A O76083 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1096942 1.00 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL24513002 1.00 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL25630145 0.93 TYMP (0.42) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL24513003 0.90 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL30140997 0.87 TYMP (0.51) TYMPTAS1R3TAS1R1HPGDTAAR1
SCHEMBL23827271 0.86 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL22408789 0.86 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19362174 0.86 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19356965 0.85 TYMP (0.44) TYMPTAS1R3TAS1R1HPGDTAAR1
SCHEMBL23425438 0.85 KDM4E (0.36) TYMPKDM4EHPGD

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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