SCHEMBL27705668

SCHEMBL27705668

C[C@@H](C(N)=O)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
EPHX1 P07099 1/20 0.50
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
PTGS2 P35354 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
MMP16 P51512 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 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 0.87 PTGS2 (0.61) HTR6CHRM2CHRM1PTGS2MMP1
SCHEMBL27705670 0.85 SMN1; SMN2 (0.45) HTR6PTGS2ALDH1A1MAPTKDM4E
SCHEMBL1882668 0.85 SMN1; SMN2 (0.45) HTR6PTGS2ALDH1A1MAPTKDM4E
SCHEMBL9705 0.82 EPHX1 (0.57) EPHX1PTGS2KDM4ELMNA
SCHEMBL1479916 0.82 EPHX1 (0.57) EPHX1PTGS2KDM4ELMNA
SCHEMBL965912 0.82 EPHX1 (0.57) EPHX1PTGS2KDM4ELMNA
SCHEMBL5674929 0.81 EPHX1 (0.53) EPHX1LMNA
SCHEMBL2653483 0.81 EPHX1 (0.53) EPHX1LMNA
SCHEMBL38657609 0.81 CA2 (0.55) EPHX1ALDH1A1
SCHEMBL1827128 0.81 TDP1 (0.51) EPHX1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN claimed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN claimed
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN disclosed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN disclosed