SCHEMBL9555656

SCHEMBL9555656

CCOP(=O)(CO[C@@H](COCc1ccccc1)COn1cnc2c(OC)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc21)OCC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL9555754 1.00 NPSR1 (0.31) NPSR1MCL1L3MBTL1
SCHEMBL9417253 0.87
SCHEMBL9857566 0.84
SCHEMBL9417141 0.81 MCL1 (0.39) MCL1L3MBTL1
SCHEMBL9674799 0.76
SCHEMBL9676871 0.75
SCHEMBL9676830 0.75
SCHEMBL9858217 0.74
SCHEMBL9417200 0.74 HPRT1 (0.46)
SCHEMBL9417136 0.74 ADORA2A (0.39)

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
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
EP-0405748-A1 Phosphonoderivative of purine with antiviral activity Beecham Group p.l.c. (GB) 1991-01-02 EP disclosed