SCHEMBL10066097

SCHEMBL10066097

CCCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)C(C)C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CHRM5 P08912 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
PDK2 Q15119 1/20 0.31
PPARA Q07869 1/20 0.30

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
SCHEMBL14192279 0.92 ESR1 (0.43) ESR1ESR2KMT2AMEN1ALOX15
SCHEMBL823275 0.91 ESR1 (0.40) ESR1ESR2KMT2AMEN1ALOX15
SCHEMBL19750309 0.89 ESR1 (0.43) ESR1ESR2KMT2AMEN1NPSR1
SCHEMBL823264 0.87 ESR1 (0.42) ESR1ESR2ALDH1A1
SCHEMBL10065615 0.83 ESR1 (0.40) ESR1ESR2PDK2
SCHEMBL12346214 0.82 ESR1 (0.41) ESR1ESR2NPSR1PDK2
SCHEMBL18648920 0.82 ESR1 (0.41) ESR1ESR2
SCHEMBL13448621 0.82 ESR1 (0.40) ESR1ESR2PDK2
SCHEMBL14701779 0.82 KMT2A (0.37) ESR1ESR2KMT2AMEN1ALOX15
SCHEMBL18648958 0.81 ESR1 (0.45) ESR1ESR2KMT2AMEN1NPSR1

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-2163922-B1 OPTICAL FILM TEIJIN CHEMICALS LTD (JP) 2012-01-25 EP disclosed