SCHEMBL7795086

SCHEMBL7795086

CCCC/C=C/C=C/S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.61
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 2/20 0.41
PSIP1 O75475 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
FAAH O00519 2/20 0.37
EGFR P00533 1/20 0.37
ABCB1 P08183 1/20 0.37
FASN P49327 1/20 0.37
NFE2L2 Q16236 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TBXA2R P21731 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35

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
SCHEMBL7011858 0.88 TLR9 (0.52) TLR9TDP1EPHX2PSIP1ALDH1A1
SCHEMBL7011863 0.88 TLR9 (0.52) TLR9TDP1EPHX2PSIP1ALDH1A1
SCHEMBL8366438 0.83 TLR9 (0.50) TLR9TDP1EPHX2PSIP1FAAH
SCHEMBL8366439 0.83 TLR9 (0.50) TLR9TDP1EPHX2PSIP1FAAH
SCHEMBL6901746 0.82 EPHX2 (0.51) TLR9TDP1EPHX2PSIP1FAAH
SCHEMBL6901744 0.82 EPHX2 (0.51) TLR9TDP1EPHX2PSIP1FAAH
SCHEMBL10826201 0.78 TLR9 (1.00) TLR9TDP1PSIP1ALDH1A1TSHR
SCHEMBL10825832 0.78 TLR9 (1.00) TLR9TDP1PSIP1ALDH1A1TSHR
SCHEMBL29171177 0.73 TDP1 (0.45) TLR9TDP1EPHX2PSIP1ALDH1A1
SCHEMBL6465522 0.73 TLR9 (0.59) TLR9TDP1PSIP1ALDH1A1TSHR

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-1158995-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 Ganomycin Gesellschaft für Biomedizinische Forschung mbH (DE) 2001-12-05 EP disclosed
WO-2000053207-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF $I(GANODERMA PFEIFFERI) DMS 13239 GANOMYCIN GESELLSCHAFT FÜR BIOMEDIZINISCHE FORSCHUNG MBH ; (DE) 2000-09-14 WO disclosed