SCHEMBL8741817

SCHEMBL8741817

CCC(CCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
MMP2 P08253 12/20 0.51
MMP9 P14780 12/20 0.51
MMP3 P08254 2/20 0.49
MMP13 P45452 2/20 0.49
MMP1 P03956 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL9503724 0.88 MMP2 (0.47) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7079889 0.84 MMP2 (0.49) MMP2MMP9MMP3MMP13MMP1
SCHEMBL27516002 0.83 MMP2 (0.48) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7080833 0.82 ALDH1A1 (0.58) MMP2MMP9MMP3MMP13CA12
SCHEMBL9219366 0.81 MMP2 (0.55) MMP2MMP9MMP3MMP13CA12
SCHEMBL7865124 0.81 TSHR (0.58) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7342436 0.79 MMP2 (0.52) MMP2MMP9MMP3MMP13CA12
SCHEMBL8525115 0.79 MMP2 (0.45) MMP2MMP9SMN1; SMN2
SCHEMBL8474689 0.79 MMP2 (0.45) MMP2MMP9SMN1; SMN2
SCHEMBL8475447 0.79 MMP2 (0.45) MMP2MMP9SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP claimed