SCHEMBL4082385

SCHEMBL4082385

COc1ccc(C(OC[C@]23CO[C@H]([C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O2)[C@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.43
P2RY14 Q15391 2/20 0.43
NT5E P21589 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
POLB P06746 1/20 0.42
ADORA3 P0DMS8 2/20 0.39
TYMP P19971 1/20 0.37
F2 P00734 1/20 0.36
NPC1 O15118 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.34
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
TMIGD3 P0DMS9 2/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34

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
SCHEMBL1096600 1.00 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL5992442 1.00 P2RY6 (0.43) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4773361 0.93 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL25630050 0.91 ABL1 (0.41) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL24513025 0.88 TMIGD3 (0.37) ABL1RIN1POLBADORA3TYMP
SCHEMBL19814300 0.88 TMIGD3 (0.37) ABL1RIN1POLBADORA3TYMP
SCHEMBL20394006 0.88 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL5859716 0.88 TMIGD3 (0.37) ABL1RIN1POLBADORA3TYMP
SCHEMBL6878873 0.87 POLB (0.47) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL4083482 0.85 P2RY6 (0.39) P2RY6P2RY14NT5EABL1RIN1

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
US-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed