SCHEMBL6911087

SCHEMBL6911087

O=S(=O)(C(/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
CYP1A2 P05177 1/20 0.41
MAOB P27338 6/20 0.41
FBP1 P09467 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCL12 P48061 1/20 0.38
MAOA P21397 3/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL1194120 1.00 AHR (0.44) AHRCYP1A2MAOBFBP1HSD17B10
SCHEMBL1194958 0.92 AHR (0.38) AHRCYP1A2MAOBFBP1LMNA
SCHEMBL1194057 0.92 MAOB (0.50) AHRCYP1A2MAOBHSD17B10CXCL12
SCHEMBL7736953 0.92 MAOB (0.43) AHRCYP1A2MAOBNFE2L2PTGS2
SCHEMBL3668286 0.92 MAOB (0.43) AHRCYP1A2MAOBNFE2L2PTGS2
SCHEMBL1194536 0.92 AHR (0.38) AHRCYP1A2MAOBFBP1LMNA
SCHEMBL5872205 0.92 AHR (0.38) AHRCYP1A2MAOBFBP1HSD17B10
SCHEMBL1194783 0.92 MAOB (0.43) AHRCYP1A2MAOBNFE2L2PTGS2
SCHEMBL5871754 0.92 AHR (0.38) AHRCYP1A2MAOBFBP1HSD17B10
SCHEMBL1194099 0.92 MAOB (0.43) AHRCYP1A2MAOBNFE2L2PTGS2

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
US-6767926-B1 Method for protecting normal cells from cytotoxicity of chemotherapeutic agents TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2004-07-27 US disclosed
US-6656973-B2 Anticancer chemotherapy, and cytoprotective agents administered before, during or after chemotherapy to protect the normal cells of the patient TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-12-02 US disclosed