SCHEMBL13321998

SCHEMBL13321998

CCOP(=O)(OCC)C(c1ccc(OC)cc1)c1ccc(C(c2ccc(OC)cc2)P(=O)(OCC)OCC)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.45
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.41
ADAM17 P78536 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL13777833 0.94 ACP3 (0.64) ACP3CA12CA1CA2CA9
SCHEMBL23372812 0.89 CA12 (0.53) ACP3CA12CA1CA2CA9
SCHEMBL14820904 0.83 CA12 (0.52) ACP3CA12CA1CA2CA9
SCHEMBL11163516 0.83 POLB (0.68) ACP3CA12CA1CA2CA9
SCHEMBL7027649 0.83 CA12 (0.49) ACP3CA12CA1CA2CA9
SCHEMBL11165955 0.83 CA12 (0.49) ACP3CA12CA1CA2CA9
SCHEMBL5754367 0.81 CA12 (0.49) CA12CA1CA2CA9GAA
SCHEMBL13321997 0.81 POLB (0.66) ACP3GAAPOLBALOX15NPSR1
SCHEMBL7868112 0.81 POLB (0.53) ACP3POLBNPSR1
SCHEMBL4262591 0.80 KMT2A (0.55) CA12CA1CA2CA9GAA

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-7718760-B2 π-Conjugated polymer and manufacturing method thereof RICOH COMPANY, LTD. (JP) 2010-05-18 US disclosed