SCHEMBL10428604

SCHEMBL10428604

C=CCOC(=O)OCCOc1c(Br)cc(C(CC)c2cc(Br)c(OCCOC(=O)OCC=C)c(Br)c2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.39
THRA P10827 8/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MCL1 Q07820 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL10885875 0.81 SMN1; SMN2 (0.35) THRBTHRAKMT2AMEN1CYP1A2
SCHEMBL10887119 0.81 THRB (0.40) THRBTHRAKMT2AMEN1CYP1A2
SCHEMBL8755037 0.80 ALDH1A1 (0.41) THRBTHRAKMT2AMEN1CYP1A2
SCHEMBL6364273 0.80 LMNA (0.45) THRBTHRAKMT2AMEN1KDM4E
SCHEMBL10428605 0.80 THRB (0.44) THRBTHRAKMT2AMEN1CYP1A2
SCHEMBL10888016 0.80 CYP3A4 (0.34) THRBTHRAKMT2AMEN1CYP1A2
SCHEMBL10428603 0.80 MAPT (0.32) THRBTHRAKMT2AMEN1KDM4E
SCHEMBL10871957 0.79 THRB (0.43) THRBKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL10630301 0.79 THRB (0.42) THRBTHRAKMT2AMEN1KDM4E
SCHEMBL10883638 0.79 CYP3A4 (0.34) THRBTHRAKMT2AMEN1CYP1A2

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-0358524-A2 Optical material composed of resin having high refractive index NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1990-03-14 EP disclosed