SCHEMBL7779213

SCHEMBL7779213

OC(CBr)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.32
HIF1A Q16665 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
CASP1 P29466 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADRA2C P18825 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
NR1I2 O75469 1/20 0.32
SLC22A3 O75751 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL7147236 0.76 RECQL (0.40) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL7108188 0.76 TSHR (0.38) TSHRALDH1A1CYP3A4KDM4ELMNA
SCHEMBL7786053 0.74 ADRA2C (0.50) TSHRHSD17B10MAPK1MAPTSMN1; SMN2
SCHEMBL7455141 0.74 ADRA2C (0.50) TSHRHSD17B10MAPK1MAPTSMN1; SMN2
SCHEMBL30514270 0.74 ADRA2C (0.50) TSHRHSD17B10MAPK1MAPTSMN1; SMN2
SCHEMBL25962595 0.69 TSHR (0.48) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL9446786 0.69
SCHEMBL2421445 0.67 TSHR (0.46) TSHRALDH1A1HSD17B10CYP3A4RECQL
SCHEMBL7105071 0.67 ADRB3 (0.48) TSHRRECQLMEN1KMT2ALMNA
SCHEMBL8789044 0.67 ADRB1 (0.54) TSHRALDH1A1HSD17B10CYP3A4HIF1A

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 7 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-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US 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
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed