SCHEMBL7099535

SCHEMBL7099535

C=CC(=O)OC(C)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)OC(=O)C=C)c(Br)c2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
THRB P10828 5/20 0.36
THRA P10827 4/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
PDGFRA P16234 1/20 0.31
KDR P35968 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
SCHEMBL28965932 0.87 TSHR (0.40) ALDH1A1THRBTHRATSHRCYP3A4
SCHEMBL14173186 0.84 ALDH1A1 (0.47) ALDH1A1THRBTHRATSHRALOX15
SCHEMBL14173129 0.84 AR (0.33) ALDH1A1TSHRCYP3A4HIF1ATDP1
SCHEMBL14340308 0.84 ALDH1A1 (0.49) ALDH1A1THRBTHRATSHRALOX15
SCHEMBL10883794 0.83 ALDH1A1 (0.46) ALDH1A1THRBTHRATSHRALOX15
SCHEMBL3938199 0.81 ALDH1A1 (0.49) ALDH1A1THRBTHRATSHRALOX15
SCHEMBL6993149 0.80 ALDH1A1 (0.38) ALDH1A1TSHRALOX15ALOX12CYP3A4
SCHEMBL14565106 0.78 ALDH1A1 (0.41) ALDH1A1THRBTHRA
SCHEMBL372646 0.77 THRB (0.46) ALDH1A1THRBTHRATSHRALOX15
SCHEMBL14173111 0.77 AR (0.46) ALDH1A1HIF1ATDP1

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-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP claimed
EP-0730168-B1 Film-forming coating solution and synthetic resin lens SEIKO EPSON CORP (JP) 2003-09-03 EP disclosed
EP-0273710-A2 Resin having high refractive index, process for producing said resin and optical materials composed of said resin Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1988-07-06 EP disclosed