SCHEMBL12869540

SCHEMBL12869540

CCc1cc(O)c(C23CC4CC(C2)CC(c2cc(O)c(C56CC7CC(CC(c8cc(O)c(C)cc8O)(C7)C5)C6)cc2O)(C4)C3)cc1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.36
PGR P06401 5/20 0.35
RARA P10276 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32

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
SCHEMBL12869536 0.92 IKBKB (0.33) IKBKBRARAGAA
SCHEMBL12869539 0.87 MCL1 (0.36) KMT2AMEN1THRBRECQLPOLB
SCHEMBL4607854 0.79 KMT2A (0.39) IKBKBRARAKMT2AMEN1POLB
SCHEMBL3766020 0.76 KMT2A (0.47) PGRRARAKMT2AMEN1THRB
SCHEMBL549407 0.75 MEN1 (0.43) IKBKBRARAKMT2AMEN1THRB
SCHEMBL9231605 0.73 KDM4E (0.50) KMT2AMEN1THRBRECQLPOLB
SCHEMBL4955968 0.72 PGR (0.33) PGRKMT2AMEN1POLBGAA
SCHEMBL3974495 0.71 MEN1 (0.53) PGRKMT2AMEN1POLBGAA
SCHEMBL548705 0.71 MEN1 (0.46) IKBKBRARAKMT2AMEN1THRB
SCHEMBL2089503 0.70 MEN1 (0.32) IKBKBRARAKMT2AMEN1POLB

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
US-20110027717-A1 PHOTORESIST COMPOSITION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-03 US disclosed
US-20110027726-A1 POLYMER COMPOUND FOR PHOTORESIST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-03 US disclosed