SCHEMBL4760269

SCHEMBL4760269

COc1ccc(C2(c3ccc(OC)c(C)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALOX15 P16050 1/20 0.34
AMY1A P0DUB6 1/20 0.34
BACE1 P56817 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL12374328 0.84 ACHE (0.44) NQO2ESR1ESR2GAABACE1
SCHEMBL9999700 0.84 ESR1 (0.45) ESR1ESR2BACE1ALDH1A1CYP2C19
SCHEMBL3155226 0.80 ESR1 (0.41) ESR1ESR2BACE1SMN1; SMN2LMNA
SCHEMBL18415977 0.80 ESR1 (0.61) NQO2ESR1ESR2BACE1SMN1; SMN2
SCHEMBL4072602 0.78 ESR1 (0.64) ESR1ESR2ALOX15SMN1; SMN2LMNA
SCHEMBL1930650 0.78 PDE4D (0.42) LMNAMEN1MAPK1KMT2AKDM4E
SCHEMBL12440923 0.77 MAPT (0.36) NQO2AMY1ASMN1; SMN2LMNAL3MBTL1
SCHEMBL81131 0.76 NQO2 (0.47) NQO2MGAMGAASIMGAM2
SCHEMBL30970345 0.76 NQO2 (0.47) NQO2MGAMGAASIMGAM2
SCHEMBL21344807 0.76 CHEK1 (0.36) MGAMGAASIMGAM2MAPK1

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
JP-2008133472-A METHOD FOR MANUFACTURING POLYMERIC COMPOUND, POLYMERIC COMPOUND AND LUMINESCENT MATERIAL JFE CHEMICAL CORP 2008-06-12 JP disclosed