SCHEMBL8765878

SCHEMBL8765878

CCc1ccc(S(=O)(=O)CC(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP14 P50281 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.43
FFAR1 O14842 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL8765315 0.84 ALDH1A1 (0.59) PTGDR2ALDH1A1LMNA
SCHEMBL11223161 0.83 ALDH1A1 (0.57) MMP2MMP7MMP14PTGDR2FFAR1
SCHEMBL7948250 0.83 GAA (0.44) PTGDR2ALDH1A1CA12CA1CA2
SCHEMBL8765860 0.82 CA2 (0.54) MMP2MMP7MMP14FFAR1ALDH1A1
SCHEMBL16888036 0.81 PTGDR2 (0.53) PTGDR2ALDH1A1
SCHEMBL28669640 0.79 CA12 (0.56) MMP2MMP7MMP14FFAR1ALDH1A1
SCHEMBL7946185 0.75 VCAM1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL7946495 0.75 LMNA (0.49) PTGDR2ALDH1A1LMNA
SCHEMBL8765311 0.75 CA12 (0.43) MMP2PTGDR2CA12CA1CA2
SCHEMBL23049594 0.74 MMP2 (0.59) MMP2MMP7MMP14FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619303-B1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AG (DE) 1997-08-13 EP disclosed
US-5498798-A 4-alkyl-3-chlorobenzenesulfinic acids, 4-alkyl-3-chlorobenzenesulfonylcarboxylic acids, 4-alkyl-3-chloroalkylsulfonylbenzenes and preparation thereof HOECHST AG (DE) 1996-03-12 US disclosed
EP-0619303-A1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed