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SCHEMBL10446715

SCHEMBL10446715

COc1ccc(C(OC(C(=O)C(C)C)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.43
▸ HPGD P15428 1/20 0.41
▸ PNP P00491 1/20 0.41
▸ HINT1 P49773 11/20 0.40
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ KRAS P01116 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
SCHEMBL17599828 0.89 TYMP (0.49) TYMPTAAR1HPGDHINT1GSK3A
SCHEMBL6831440 0.86 TYMP (0.48) TYMPTAAR1HPGDHINT1GSK3A
SCHEMBL16401878 0.85 TYMP (0.49) TYMPTAAR1HPGDPNPHINT1
SCHEMBL2108532 0.82 TYMP (0.54) TYMPTAAR1HPGDPNPHINT1
SCHEMBL9320640 0.81 TAAR1 (0.44) TYMPTAAR1HPGDHINT1GSK3A
SCHEMBL16401489 0.80 TYMP (0.48) TYMPTAAR1HPGDPNPHINT1
SCHEMBL6835146 0.80 TYMP (0.45) TYMPTAAR1HPGDHINT1GSK3A
SCHEMBL10446694 0.80 TYMP (0.55) TYMPPNPHINT1GSK3ARPS6KA3
SCHEMBL2108884 0.79 TYMP (0.53) TYMPTAAR1HPGDPNPHINT1
SCHEMBL9699627 0.78 ADORA1 (0.42) TYMP

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
EP-0381335-A1 Antiviral agent and novel nucleoside TANABE SEIYAKU CO., LTD. (JP) 1990-08-08 — — EP disclosed