SCHEMBL8818930

SCHEMBL8818930

COc1ccc(S(=O)(=O)O)c(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ ABL1 P00519 2/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ BCR P11274 2/20 0.45
▸ BACE1 P56817 3/20 0.45
▸ HDAC8 Q9BY41 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL196605 0.92 PTPN1 (0.50) PTGS2PTPN1BACE1HDAC8TAS1R3
SCHEMBL8820520 0.80 PTGDR2 (0.47) PTGS2L3MBTL1LMNAMAPK1HTT
SCHEMBL8949303 0.77 PTGS2 (0.47) PTGS2BACE1HDAC8L3MBTL1LMNA
SCHEMBL8650448 0.76 AR (0.49) PTPN1HDAC8LMNAMAPK1HTT
Phosphine SCHEMBL27503675 0.76 PTGS2 (0.46) PTGS2BACE1HDAC8L3MBTL1LMNA
SCHEMBL29402037 0.75 PTPN1 (0.57) PTPN1ABL1ABCB1BCRBACE1
SCHEMBL5551697 0.75 PTPN1 (0.57) PTPN1ABL1ABCB1BCRBACE1
SCHEMBL29353151 0.75 PTGS2 (0.48) PTGS2BACE1HDAC8L3MBTL1LMNA
SCHEMBL12325013 0.75 PTPN1 (0.57) PTPN1ABL1ABCB1BCRBACE1
SCHEMBL140117 0.75 PTGS2 (0.48) PTGS2BACE1HDAC8L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048677-A1 NON-IONIC PHOTOACID GENERATORS WITH IMPROVED QUANTUM EFFICIENCY PPG INDUSTRIES, INC. (US) 1997-12-24 — — WO disclosed
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