SCHEMBL10440396

SCHEMBL10440396

C=CC(=O)OCC(O)COc1c(Br)cc(Br)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
THRB P10828 4/20 0.36
THRA P10827 2/20 0.36
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3938199 0.85 ALDH1A1 (0.49) TSHRTHRBTHRACYP1A2MAPT
SCHEMBL10607568 0.83 TSHR (0.39) TSHRTHRBTHRACYP1A2KDM4E
SCHEMBL8063043 0.82 SMN1; SMN2 (0.41) TSHRCYP1A2KMT2AMAPTALDH1A1
SCHEMBL10609226 0.82 TSHR (0.44) TSHRTHRBCYP1A2HSD17B10ALDH1A1
SCHEMBL7766330 0.81 TSHR (0.38) TSHRTHRBTHRAKMT2AMAPT
SCHEMBL5478851 0.81 TSHR (0.58) TSHRTHRBTHRAKMT2AMAPT
SCHEMBL9656568 0.80 TSHR (0.47) TSHRTHRBCYP1A2MAPTALDH1A1
SCHEMBL4789470 0.79 THRB (0.40) TSHRTHRBTHRACYP1A2KMT2A
SCHEMBL10611018 0.79 TSHR (0.44) TSHRTHRBCYP1A2HSD17B10ALDH1A1
SCHEMBL447953 0.79 THRB (0.51) TSHRTHRBTHRACYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59133211-A None JP disclosed
EP-0361409-A2 Flame-retardant liquid photosensitive resin composition MITSUBISHI RAYON CO., LTD. (JP) 1990-04-04 EP disclosed
US-4812032-A DIBROMOSTYRENE, DIVINYLBENZENE, HALOGEN CONTAINING ACRYLATE OR METHACRYLATE TORAY INDUSTRIES, INC. (JP) 1989-03-14 US disclosed
US-4721377-A COPOLYMER OF DIBROMOSTYRENE, DI-(OR TRI-) (METH-)ACRYLATE AND MONO (METH-)ACRYLATE TORAY INDUSTRIES, INC. (JP) 1988-01-26 US disclosed
EP-0134861-B1 RESIN MATERIAL FOR PLASTIC LENS AND LENS COMPOSED THEREOF TORAY INDUSTRIES, INC. (JP) 1987-12-09 EP disclosed
EP-0176874-A2 A highly-refractive plastic lens TORAY INDUSTRIES, INC. (JP) 1986-04-09 EP disclosed
EP-0134861-A1 Resin material for plastic lens and lens composed thereof TORAY INDUSTRIES, INC. (JP) 1985-03-27 EP disclosed
US-4487904-A Urethanized acrylic resin material for plastic lens and lens composed thereof TORAY INDUSTRIES, INC. (JP) 1984-12-11 US disclosed
JP-S59133211-A RESIN FOR USE IN HIGH-REFRACTIVE INDEX PLASTIC LENS TORAY IND INC 1984-07-31 JP disclosed