SCHEMBL20183966

SCHEMBL20183966

C=CC(=O)OCCCOc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCCCOC(=O)C=C)c(Br)c2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 1/20 0.41
THRB P10828 7/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRA P10827 6/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KLK1 P06870 1/20 0.34
KDM4E B2RXH2 1/20 0.32
FOXO1 Q12778 1/20 0.31
GAA P10253 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
SCHEMBL372605 0.93 THRB (0.47) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL372606 0.93 THRB (0.47) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL10605595 0.85 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL11171075 0.83 CYP3A4 (0.35) TSHRCYP3A4THRBTHRAMEN1
SCHEMBL447953 0.78 THRB (0.51) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL10883638 0.76 CYP3A4 (0.34) TSHRCYP3A4THRBTHRAMEN1
SCHEMBL11566263 0.76 KLK1 (0.41) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL372258 0.75 THRB (0.49) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL372731 0.75 THRB (0.56) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL372732 0.75 THRB (0.56) TSHRALDH1A1CYP3A4HPGDTHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327472-B1 HOLOGRAPHIC OPTICAL ELEMENT AND PRODUCTION METHOD THEREFOR KONICA MINOLTA INC (JP) 2019-10-30 EP disclosed
US-20180217311-A1 HOLOGRAPHIC OPTICAL ELEMENT AND METHOD FOR PRODUCING THE SAME Konica Minolta, Inc. (JP) 2018-08-02 US disclosed
EP-3327472-A1 HOLOGRAPHIC OPTICAL ELEMENT AND PRODUCTION METHOD THEREFOR Konica Minolta, Inc. (JP) 2018-05-30 EP disclosed