SCHEMBL9018772

SCHEMBL9018772

CCc1cc(S(=O)(=O)c2cc(CC)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 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
SCHEMBL8978615 0.74 LMNA (0.35) GABRA1GABRB2LMNATSHR
SCHEMBL6150496 0.72 TDP1 (0.39) CA1CA2
SCHEMBL10592008 0.72 GABRA1 (0.44) GABRA1GABRB2CA1CA2
SCHEMBL28485932 0.68 PTPN1 (0.59) GABRA1GABRB2CA1CA2
SCHEMBL10888802 0.67 THRB (0.44) CA1CA2LMNATSHR
SCHEMBL17873619 0.66 GABRA1 (0.55) GABRA1GABRB2LMNATSHR
SCHEMBL9332580 0.65 ALOX15 (0.41) CA1CA2LMNA
SCHEMBL4889110 0.65 GABRA1 (0.38) GABRA1GABRB2CA1CA2LMNA
SCHEMBL12658939 0.65 GABRA1 (0.68) GABRA1GABRB2CA1CA2EDNRB
SCHEMBL469841 0.64 GABRA1 (0.52) GABRA1GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623594-B1 PHENETHYL ALCOHOL DERIVATIVE AND RECORDING MATERIAL CONTAINING THE SAME NIPPON SODA CO (JP) 1996-12-27 EP disclosed
EP-0623594-A1 PHENETHYL ALCOHOL DERIVATIVE AND RECORDING MATERIAL CONTAINING THE SAME NIPPON SODA CO., LTD. (JP) 1994-11-09 EP disclosed