SCHEMBL7862778

SCHEMBL7862778

O=C(CC(CCN1C(=O)c2ccccc2C1=O)(C(=O)O)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.59
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
ADAM17 P78536 2/20 0.42
MMP1 P03956 1/20 0.42
MMP14 P50281 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39

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
SCHEMBL7861710 0.81 GSK3B (0.49) GSK3BPOLBCYP3A4MMP2MMP9
SCHEMBL3025973 0.78 GSK3B (0.72) GSK3BPOLBCYP3A4SMN1; SMN2NPC1
SCHEMBL14711680 0.75 GSK3B (1.00) GSK3BPOLBCYP3A4SMN1; SMN2NPC1
SCHEMBL7860396 0.74 NPC1 (0.60) POLBCYP3A4MMP2MMP9NPC1
SCHEMBL1748168 0.74 GSK3B (0.46) GSK3BPOLBSMN1; SMN2NPC1HSD11B1
SCHEMBL7861847 0.74 HSP90AA1 (0.50) GSK3BCYP3A4SMN1; SMN2NPC1HSD11B1
SCHEMBL27704908 0.73 MAPT (0.47) GSK3BCYP3A4SMN1; SMN2NPC1HSD11B1
SCHEMBL7861873 0.72 GSK3B (0.59) GSK3BPOLBCYP3A4MMP2MMP9
SCHEMBL8944830 0.72 SMN1; SMN2 (0.53) SMN1; SMN2CA12CA9MEN1KMT2A
SCHEMBL6293053 0.71 MMP2 (0.43) GSK3BMMP2MMP9SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923529-B1 SUBSTITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-09-19 EP disclosed
CN-1225620-A Substituted 4-arylbutanoic acid derivatives as matrix metalloproteinase inhibitors BAYER AG (US) 1999-08-11 CN disclosed
EP-0923529-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-06-23 EP disclosed
US-5863915-A ENZYME INHIBITORS FOR BONES AND JOINTS BAYER CORPORATION (US) 1999-01-26 US disclosed
WO-1997043237-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1997-11-20 WO disclosed