SCHEMBL7784236

SCHEMBL7784236

Brc1cc(Br)cc(C2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.31
KDM1A O60341 1/20 0.30
GSTO1 P78417 1/20 0.30

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
SCHEMBL31242450 0.84 FFAR1 (0.42) TSHRPARP1
SCHEMBL29021155 0.80 DRD2 (0.30)
SCHEMBL871294 0.80 TSHR (0.55) TSHRPARP1GSTO1
SCHEMBL610892 0.77 TSHR (0.54) TSHRPARP1KDM1A
SCHEMBL29364885 0.77 TSHR (0.54) TSHRPARP1KDM1A
SCHEMBL19661648 0.75 KCNH2 (0.35) TSHRMAPT
SCHEMBL83447 0.74 TSHR (0.56) TSHRMAPTKDM1A
SCHEMBL916179 0.74 TSHR (0.56) TSHRMAPTKDM1A
SCHEMBL7783873 0.72 TSHR (0.36) TSHR
SCHEMBL3564666 0.72 CCNB2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
US-4754047-A ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1988-06-28 US disclosed
US-4522822-A Phenylethane derivatives and acid addition salts thereof for increasing lean meat deposition and/or improving lean meat to fat ratio in warm blooded animals AMERICAN CYANAMID COMPANY (US) 1985-06-11 US disclosed
US-4501751-A Phenylethanolamine derivatives and acid addition salts thereof for enhancing the growth rate of meat-producing animals and improving the efficiency of feed utilization thereby AMERICAN CYANAMID COMPANY (US) 1985-02-26 US disclosed
EP-0026298-B1 METHOD FOR PROMOTING GROWTH AND REDUCING FAT IN ANIMALS USING PHENYLETHANOLAMINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1984-04-18 EP disclosed
US-4407819-A ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1983-10-04 US disclosed
US-4404222-A Phenylethanolamine derivatives and acid addition salts thereof for enhancing the growth rate of meat-producing animals and improving the efficiency of feed utilization thereby AMERICAN CYANAMID COMPANY (US) 1983-09-13 US disclosed
EP-0026298-A1 Method for promoting growth and reducing fat in animals using phenylethanolamine derivatives AMERICAN CYANAMID COMPANY (US) 1981-04-08 EP disclosed