SCHEMBL27619971

SCHEMBL27619971

COc1cc(O)c(OC)c(OC(=O)CCCC(=O)Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TPMT P51580 1/20 0.37
ERN1 O75460 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4641613 0.88 CYP3A4 (0.41) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644562 0.86 CYP3A4 (0.40) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644979 0.86 CYP3A4 (0.42) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4645284 0.85 CYP3A4 (0.41) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644065 0.85 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4645663 0.85 CYP3A4 (0.43) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644328 0.83 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644959 0.82 CYP3A4 (0.43) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL28752225 0.81 CYP3A4 (0.45) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4642294 0.80 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2TPMT

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
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN disclosed