SCHEMBL6932396

SCHEMBL6932396

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@@H]2OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
P2RY6 Q15077 3/20 0.43
P2RY14 Q15391 2/20 0.43
NT5E P21589 2/20 0.43
TYMP P19971 4/20 0.41
ADORA3 P0DMS8 2/20 0.39
F2 P00734 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
P2RY2 P41231 1/20 0.34
P2RY4 P51582 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
SCHEMBL17992980 0.93 POLB (0.59) POLBABL1RIN1P2RY6P2RY14
SCHEMBL6930827 0.92 POLB (0.70) POLBABL1RIN1P2RY6P2RY14
SCHEMBL8438724 0.92 POLB (0.59) POLBABL1RIN1P2RY6P2RY14
SCHEMBL23056641 0.91 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL5925303 0.91 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL5358852 0.91 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL23157266 0.91 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14049948 0.90 POLB (0.58) POLBABL1RIN1P2RY6P2RY14
SCHEMBL30547473 0.89 POLB (0.55) POLBABL1RIN1P2RY6P2RY14
SCHEMBL17090840 0.89 POLB (0.57) POLBABL1RIN1P2RY6P2RY14

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
EP-1369424-A1 Method for purifying protected 2'-deoxycytidines Mitsui Chemicals, Inc. (JP) 2003-12-10 EP disclosed