SCHEMBL3628550

SCHEMBL3628550

O=C(O)CCc1ccccc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
HSD11B1 P28845 3/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FFAR1 O14842 1/20 0.44
PSIP1 O75475 1/20 0.44
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MPO P05164 1/20 0.42
CA1 P00915 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
SCHEMBL59198 0.82 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1283787 0.79 PSIP1 (0.48) HSD11B1PTGDR2ALDH1A1KMT2ATSHR
SCHEMBL8674130 0.78 NPSR1 (0.44) KEAP1HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL27575272 0.78 PSIP1 (0.47) HSD11B1PTGDR2ALDH1A1TSHRHSD17B10
SCHEMBL11922695 0.77 PSIP1 (0.61) HSD11B1PTGDR2ALDH1A1KMT2ATSHR
SCHEMBL9617614 0.76 ALDH1A1 (0.47) KEAP1MEN1ALDH1A1KMT2APTGER1
SCHEMBL3147023 0.76 PSIP1 (0.48) HSD11B1PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL1714597 0.76 PSIP1 (0.48) HSD11B1PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL3728799 0.75 CYP4F2 (0.58) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8573204 0.75 KEAP1 (0.56) KEAP1PTGER1PTGER4PTGER3PTGER2

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-2229942-A1 2-Aryl-propionic acids and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2010-09-22 EP disclosed