SCHEMBL9320640

SCHEMBL9320640

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
TYMP P19971 1/20 0.44
HPGD P15428 1/20 0.44
HINT1 P49773 7/20 0.41
XDH P47989 1/20 0.38
GSK3A P49840 2/20 0.37
RPS6KA3 P51812 2/20 0.37
MAPK14 Q16539 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
STING1 Q86WV6 2/20 0.36
KRAS P01116 2/20 0.36

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 0.90 TYMP (0.49) TAAR1TYMPHPGDHINT1XDH
SCHEMBL16401878 0.85 TYMP (0.49) TAAR1TYMPHPGDHINT1XDH
SCHEMBL6831440 0.84 TYMP (0.48) TAAR1TYMPHPGDHINT1GSK3A
SCHEMBL6234136 0.81 TAAR1 (0.39) TAAR1TYMPHPGDHINT1TAS1R3
SCHEMBL10446715 0.81 TYMP (0.44) TAAR1TYMPHPGDHINT1GSK3A
SCHEMBL8602348 0.81 TYMP (0.48) TAAR1TYMPHPGDHINT1XDH
SCHEMBL6835146 0.81 TYMP (0.45) TAAR1TYMPHPGDHINT1XDH
SCHEMBL2108532 0.81 TYMP (0.54) TAAR1TYMPHPGDHINT1XDH
SCHEMBL16401489 0.80 TYMP (0.48) TAAR1TYMPHPGDHINT1XDH
SCHEMBL6231869 0.80 TAAR1 (0.41) TAAR1TYMPHPGDHINT1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260032-B1 Compounds for the cleavage at a specific position of RNA, oligomers employed for the formation of said compounds, and starting materials for the synthesis of said oligomers AJINOMOTO KK (JP) 1994-01-26 EP disclosed
EP-0260032-A2 Compounds for the cleavage at a specific position of RNA, oligomers employed for the formation of said compounds, and starting materials for the synthesis of said oligomers AJINOMOTO CO., INC. (JP) 1988-03-16 EP disclosed