SCHEMBL21702867

SCHEMBL21702867

COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)CCC(C)(C)c2cc(C(=O)OC)cc(C(C)(C)C)c2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NFKB1 P19838 1/20 0.49
XDH P47989 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FUT7 Q11130 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RECQL P46063 1/20 0.47
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL19670062 0.95 CA1 (0.50) GAALMNATDP1POLBKDM4E
SCHEMBL22600453 0.94 GAA (0.44) GAALMNATDP1POLBKDM4E
SCHEMBL25566857 0.93 GAA (0.43) GAALMNATDP1POLBKDM4E
SCHEMBL21562938 0.90 CA2 (0.47) GAALMNATDP1POLBKDM4E
SCHEMBL755528 0.90 GAA (0.59) GAALMNATDP1POLBKDM4E
SCHEMBL24170761 0.81 CA2 (0.55) GAALMNATDP1POLBKDM4E
SCHEMBL11657294 0.81 VCAM1 (0.51) GAALMNATDP1POLBKDM4E
SCHEMBL30924510 0.80 GAA (0.52) GAALMNATDP1POLBKDM4E
SCHEMBL1406483 0.79 GAA (0.50) GAALMNATDP1POLBKDM4E
SCHEMBL24821894 0.79 GAA (0.50) GAALMNATDP1POLBKDM4E

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-20200048430-A1 POLYOLEFIN RESIN COMPOSITION AND MOLDED ARTICLE USING SAME ADEKA CORPORATION (JP) 2020-02-13 US disclosed