SCHEMBL9480438

SCHEMBL9480438

O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.48
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP12 P39900 2/20 0.45
MMP13 P45452 2/20 0.45
MMP14 P50281 2/20 0.45
MMP16 P51512 2/20 0.45
MMP3 P08254 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
BCL2L1 Q07817 3/20 0.43
MCL1 Q07820 3/20 0.43
NR3C1 P04150 1/20 0.43
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
SOS1 Q07889 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
CTSG P08311 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
SCHEMBL2947086 0.91 PTGS2 (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9452111 0.81 PGR (0.49) PGRMMP2MMP9MMP8MMP12
SCHEMBL9793435 0.80 HTR6 (0.48) MMP2MMP9MMP8MMP12MMP13
SCHEMBL5161585 0.79 PTGS2 (0.54) MMP2MMP9MMP8MMP12MMP13
SCHEMBL5086111 0.76 HSD11B1 (0.51) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9462475 0.76 RAPGEF4 (0.41) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9462782 0.76 MMP1 (0.42) MMP2MMP9MMP8MMP12MMP13
SCHEMBL7871344 0.76 PTGS2 (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL7871346 0.76 PTGS2 (0.56) MMP2MMP9MMP8MMP12MMP13
SCHEMBL10396332 0.76 HSD11B1 (0.57) PGRMMP2MMP9MMP8MMP12

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
EP-0532965-A2 Process for the preparation of aromatic carbonyl- or sulfonyl compounds with aryletherstructure BASF Aktiengesellschaft (DE) 1993-03-24 EP disclosed