SCHEMBL6890940

SCHEMBL6890940

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)nc3=O)[C@H](O)[C@@H]2OC(=O)Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.41
P2RY6 Q15077 8/20 0.37
P2RY14 Q15391 2/20 0.37
NT5E P21589 1/20 0.37
P2RY2 P41231 6/20 0.37
P2RY4 P51582 5/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6046959 0.88 POLB (0.42) TYMPNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9126502 0.78 P2RY6 (0.45) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL6046979 0.78 TYMP (0.45) TYMPP2RY6P2RY14NT5ENPC1
SCHEMBL6046977 0.75 POLB (0.50) ALDH1A1
SCHEMBL6046965 0.75 NT5E (0.40) P2RY6NT5EP2RY2P2RY4ALDH1A1
SCHEMBL9230969 0.75 P2RY6 (0.41) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL27041199 0.75 TYMP (0.49) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL30274828 0.75 TYMP (0.49) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL27041194 0.75 TYMP (0.49) TYMPP2RY6P2RY14NT5EP2RY2
SCHEMBL17090823 0.75 TYMP (0.51) TYMPP2RY6P2RY14NT5EP2RY2

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-1438322-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES Chemogenix GmbH (DE) 2004-07-21 EP disclosed
WO-2003035664-A2 METHOD FOR COVALENTLY ATTACHING NUCLEOSIDES AND/OR NUCLEOTIDES ON SURFACES AND METHOD FOR DETERMINING COUPLING YIELDS IN THE SYNTHESIS OF NUCLEOTIDES CHEMOGENIX GMBH (DE) 2003-05-01 WO disclosed