SCHEMBL7786052

SCHEMBL7786052

OC(CBr)c1c(Br)cc(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
ALOX15 P16050 1/20 0.31
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
ERN1 O75460 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
SCHEMBL7152624 0.79 TDP1 (0.39) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL10824436 0.77 TSHR (0.37) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL29123796 0.74 CYP3A4 (0.34) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL7787305 0.73 CYP3A4 (0.31) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL4091711 0.68 TDP1 (0.45) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL9816242 0.66 CYP3A4 (0.30) CYP3A4TSHRTDP1
SCHEMBL29083598 0.65 SLC6A2 (0.39) TDP1
SCHEMBL7787318 0.65 ADRB2 (0.32) CYP3A4TDP1
SCHEMBL10824435 0.64 CYP3A4 (0.37) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL2893002 0.64 SLC18A3 (0.46) CYP3A4TSHR

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