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SCHEMBL2108884

SCHEMBL2108884

COc1ccc(C(OC(C(=O)COc2ccccc2)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.50
▸ HINT1 P49773 9/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ NT5E P21589 1/20 0.43
▸ PNP P00491 1/20 0.43
▸ KRAS P01116 1/20 0.42

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
SCHEMBL16401489 0.94 TYMP (0.48) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL16401843 0.94 TYMP (0.48) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2108532 0.91 TYMP (0.54) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2215262 0.88 TYMP (0.43) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL16401149 0.88 TYMP (0.45) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL2106148 0.87 TYMP (0.42) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL15841440 0.86 TYMP (0.41) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL1318856 0.86 ADORA1 (0.51) TYMP
SCHEMBL16401878 0.85 TYMP (0.49) TYMPTAAR1HINT1HPGDGSK3A
SCHEMBL17599828 0.85 TYMP (0.49) TYMPTAAR1HINT1HPGDGSK3A

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
US-8158775-B2 Method for detaching protecting group on nucleic acid NIPPON SHINYAKU CO., LTD. (JP) 2012-04-17 — — US disclosed