Sugi Predict

Sugi Predict / Compounds / SCHEMBL7756536

SCHEMBL7756536

SCHEMBL7756536

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)OCCc5ccc([N+](=O)[O-])cc5)ncnc43)[C@H](OC(C)OCCc3ccc([N+](=O)[O-])cc3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 7/20 0.46
▸ SLC29A1 Q99808 5/20 0.41
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38

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
SCHEMBL9231628 0.89 TYMP (0.43) TYMPSLC29A1
SCHEMBL9228567 0.85 SLC29A1 (0.56) SLC29A1
SCHEMBL9228575 0.85 SLC29A1 (0.56) SLC29A1
SCHEMBL7615989 0.85 SLC29A1 (0.52) TYMPSLC29A1
SCHEMBL7619002 0.85 SLC29A1 (0.52) TYMPSLC29A1
SCHEMBL7753897 0.84 P2RY6 (0.40) TYMP
SCHEMBL8916283 0.81 SLC29A1 (0.54) SLC29A1
SCHEMBL8916276 0.81 SLC29A1 (0.54) SLC29A1
SCHEMBL8914132 0.81 SLC29A1 (0.43) TYMPSLC29A1
SCHEMBL9230969 0.80 P2RY6 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661291-B1 Solid phase synthesis of oligoribonucleotide AVENTIS PHARMA GMBH (DE) 2001-03-07 — — EP disclosed
EP-0661291-A1 Solid phase synthesis of oligoribonucleotide HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 — — EP disclosed