SCHEMBL4072602

SCHEMBL4072602

Cc1cc(C2(c3ccc(O)c(C)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.64
ESR2 Q92731 5/20 0.64
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
XBP1 P17861 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
PDK2 Q15119 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ERN1 O75460 1/20 0.36
PDE10A Q9Y233 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL9999700 0.86 ESR1 (0.45) ESR1ESR2PDK2ALDH1A1CYP2C19
SCHEMBL13816609 0.85 ESR1 (0.44) ESR1ESR2MEN1KMT2APOLB
SCHEMBL10299747 0.83 ESR1 (0.42) ESR1ESR2L3MBTL1ALOX15PDK2
SCHEMBL899482 0.83 ESR1 (0.68) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL3155226 0.82 ESR1 (0.41) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL31276113 0.81 ESR1 (0.64) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL5147567 0.79 ESR1 (0.40) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL4760269 0.78 NQO2 (0.41) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL899538 0.78 ESR1 (0.60) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL70957 0.78 ESR1 (1.00) ESR1ESR2MEN1KMT2AMAPT

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
WO-2009058396-A1 NEGATIVE BIREFRINGENT OPTICAL FILMS WITH FLAT OR REVERSED BIREFRINGENCE WAVELENGTH DISPERSIONS FOR LIQUID CRYSTAL DISPLAYS AKRON POLYMER SYSTEMS INC. (US) 2009-05-07 WO disclosed
WO-2009058396-A1 NEGATIVE BIREFRINGENT OPTICAL FILMS WITH FLAT OR REVERSED BIREFRINGENCE WAVELENGTH DISPERSIONS FOR LIQUID CRYSTAL DISPLAYS AKRON POLYMER SYSTEMS INC. (US) 2009-05-07 WO disclosed