SCHEMBL527862

SCHEMBL527862

O=C(Nc1ccc(OC[C@H](CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1c(F)ccc(Cl)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.59
MMP3 P08254 6/20 0.59
MMP9 P14780 6/20 0.59
MMP13 P45452 6/20 0.59
MMP1 P03956 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL528213 0.89 MMP2 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL526248 0.84 MMP1 (0.58) MMP2MMP3MMP9MMP13MMP1
SCHEMBL527863 0.83 ALDH1A1 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL527864 0.83 ALDH1A1 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL527660 0.83 MMP1 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7224963 0.81 MMP2 (0.81) MMP2MMP3MMP9MMP13MMP1
SCHEMBL528311 0.81 MMP1 (0.58) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7223278 0.79 MMP2 (0.82) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7231571 0.79 MMP2 (0.71) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7225019 0.75 MMP2 (0.82) MMP2MMP3MMP9MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP claimed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed