SCHEMBL7047747

SCHEMBL7047747

CC(C)C(Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.51
MMP3 P08254 8/20 0.51
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
MMP13 P45452 6/20 0.50
MMP1 P03956 5/20 0.50
MMP9 P14780 5/20 0.50
MMP7 P09237 4/20 0.50
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC22A12 Q96S37 2/20 0.48
ADAMTS4 O75173 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTGER4 P35408 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
SCHEMBL11707781 0.95 GAA (0.49) MMP2MMP3PPARGPPARAMMP13
SCHEMBL4748762 0.84 GAA (0.48) MMP2MMP3MMP13MMP1MMP9
SCHEMBL667009 0.84 GAA (0.48) MMP2MMP3MMP13MMP1MMP9
SCHEMBL7966234 0.82 CYP1A2 (0.71) PPARGPPARAGAACYP1A2CYP2C9
SCHEMBL21057155 0.80 GAA (0.59) MMP2MMP3PPARGPPARAGAA
SCHEMBL2830293 0.80 GAA (0.59) MMP2MMP3PPARGPPARAGAA
SCHEMBL4277047 0.79 SMN1; SMN2 (0.54) MMP2MMP3PPARGPPARAMMP13
SCHEMBL28924876 0.79 MMP2 (0.56) MMP2MMP3MMP13MMP1MMP9
SCHEMBL13892893 0.78 MMP2 (0.52) MMP2MMP3MMP13MMP1MMP9
SCHEMBL11717212 0.77 GAA (0.45) MMP2MMP3GAASMN1; SMN2ALDH1A1

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
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed