SCHEMBL16995002

SCHEMBL16995002

C=COc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1CCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL15356197 0.94 ESR1 (0.38) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL15356196 0.91 ESR1 (0.34) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL16994999 0.91 ESR1 (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4126295 0.87 ESR1 (0.40) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL4134601 0.82 ESR1 (0.41) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL15356199 0.80 CNR2 (0.35) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL15926113 0.80 ESR1 (0.43) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL16118003 0.79 PDK2 (0.38) ESR1ESR2MAPTTHRB
SCHEMBL15356205 0.79 ESR1 (0.39) ESR1ESR2KDM4EMEN1LMNA
SCHEMBL15356191 0.78 THRB (0.56) ESR1ESR2KDM4EMEN1LMNA

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-2664628-B1 RESIN COMPOSITION FOR PHOTOIMPRINTING, PATTERN FORMING PROCESS AND ETCHING MASK MARUZEN PETROCHEM CO LTD (JP) 2015-08-12 EP disclosed