SCHEMBL30898731

SCHEMBL30898731

COc1ccc(C(OC[C@@]23CN[C@@H]([C@H](n4cnc5c(=O)[nH]c(N)nc54)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.51
▸ HPGD P15428 1/20 0.47
▸ XDH P47989 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HINT1 P49773 2/20 0.41
▸ GSK3A P49840 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ NT5E P21589 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37

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
SCHEMBL30140997 0.89 TYMP (0.51) TYMPHPGDXDHTAAR1HINT1
SCHEMBL23827266 0.86 TYMP (0.48) TYMPHPGDXDHTAAR1HINT1
SCHEMBL23827221 0.84 TYMP (0.48) TYMPHPGDXDHTAAR1HINT1
SCHEMBL23827319 0.84 TYMP (0.47) TYMPHPGDXDHTAAR1HINT1
SCHEMBL30631035 0.81 TYMP (0.43) TYMPHPGDXDHTAAR1HINT1
SCHEMBL20394061 0.80 ADORA3 (0.45) TYMPADORA3
SCHEMBL29610113 0.80 ADORA3 (0.45) TYMPADORA3
SCHEMBL23827315 0.80 TYMP (0.39) TYMP
SCHEMBL6838999 0.80 TYMP (0.59) TYMPHPGDXDHTAAR1HINT1
SCHEMBL23827328 0.79 TYMP (0.42) TYMPHPGDTAAR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119156-A Bridged artificial nucleic acid ALNA 田边三菱制药株式会社 2024-12-13 — — CN disclosed
CN-112996522-B Bridged artificial nucleic acid ALNA 田边三菱制药株式会社 2024-09-20 — — CN disclosed
CN-117964674-A Bridged artificial nucleic acid ALNA 田边三菱制药株式会社 2024-05-03 — — CN disclosed
CN-117964673-A Bridged artificial nucleic acid ALNA 田边三菱制药株式会社 2024-05-03 — — CN disclosed
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