SCHEMBL4473172

SCHEMBL4473172

CCc1ccccc1S(=O)(=O)c1ccc([C@@H](C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.55
MMP12 P39900 10/20 0.55
MMP13 P45452 10/20 0.55
MMP14 P50281 10/20 0.55
MMP8 P22894 9/20 0.55
MMP16 P51512 9/20 0.55
MMP9 P14780 9/20 0.55
MMP1 P03956 7/20 0.55
HSD11B1 P28845 1/20 0.52
MMP3 P08254 7/20 0.50
PTGS2 P35354 5/20 0.49
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 3/20 0.43
ADAM17 P78536 1/20 0.43
NAMPT P43490 1/20 0.43
PTGS1 P23219 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43

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
SCHEMBL9228365 0.81 PTGS2 (0.61) MMP2MMP12MMP13MMP14MMP8
SCHEMBL1344982 0.80 MCL1 (0.46) PTGS2AKR1C3PTGS1LMNACYP2C9
SCHEMBL1345631 0.80 PTGS2 (0.45) MMP2MMP12MMP13MMP14MMP8
SCHEMBL1345419 0.80 PTGS2 (0.45) MMP2MMP12MMP13MMP14MMP8
SCHEMBL1343601 0.80 MCL1 (0.46) PTGS2AKR1C3PTGS1LMNACYP2C9
SCHEMBL10181290 0.79 HSD11B1 (0.59) MMP2MMP12MMP13MMP14MMP8
SCHEMBL7266402 0.77 HSD11B1 (0.61) MMP2MMP12MMP13MMP14MMP8
SCHEMBL166813 0.75 PTGS2 (0.53) PTGS2AKR1C3AKR1C2PTGS1LMNA
SCHEMBL27733563 0.75 HSD11B1 (0.55) MMP2MMP12MMP13MMP14MMP8
SCHEMBL13210403 0.75 HSD11B1 (0.59) MMP2MMP12MMP13MMP14MMP8

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-1455773-B1 2-ARYL-PROPIONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-04 EP disclosed