SCHEMBL8618793

SCHEMBL8618793

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]2OC(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 11/20 0.47
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ EIF4E P06730 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TOP1 P11387 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ GAPDH P04406 1/20 0.39
▸ HRAS P01112 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ ENPP1 P22413 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
SCHEMBL7961312 0.94 GAPDH (0.45) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL7974829 0.89 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130121 0.89 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130114 0.89 TYMP (0.57) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130125 0.84 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13130110 0.84 TYMP (0.47) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL7961309 0.83 CA1 (0.38) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL12300349 0.78 LMNA (0.47) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL7974825 0.78 LMNA (0.52) TYMPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL27028364 0.76 TYMP (0.56) TYMPADORA1ENPP1

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-1998056385-A1 BASE-MODIFIED DERIVATIVES OF 2',5'-OLIGOADENYLATE AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-12-17 — — WO disclosed
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