SCHEMBL7854992

SCHEMBL7854992

CCCCCCc1ccc(C(=O)CC(CCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HAO1 Q9UJM8 1/20 0.46
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
CDC25A P30304 7/20 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
SCHEMBL10052675 0.96 MMP2 (0.56) MMP2MMP9TDP1L3MBTL1
SCHEMBL7860409 0.86 THRA (0.48) MMP2MMP9THRATHRB
SCHEMBL7854961 0.86 THRA (0.48) MMP2MMP9THRATHRB
SCHEMBL7860406 0.86 THRA (0.48) MMP2MMP9THRATHRB
SCHEMBL7860432 0.86 THRA (0.48) MMP2MMP9THRATHRB
SCHEMBL7860408 0.83 MMP2 (0.51) MMP2MMP9CDC25A
SCHEMBL7865130 0.83 MMP2 (0.51) MMP2MMP9CDC25A
SCHEMBL7865124 0.83 TSHR (0.58) MMP2MMP9
SCHEMBL27522150 0.82 MMP2 (0.46) MMP2MMP9THRATHRB
SCHEMBL10021381 0.81 MMP2 (0.50) MMP2MMP9

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 9 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 claimed
CN-1225620-A Substituted 4-arylbutanoic acid derivatives as matrix metalloproteinase inhibitors BAYER AG (US) 1999-08-11 CN claimed
EP-0923529-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-06-23 EP claimed
WO-1997043237-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1997-11-20 WO claimed
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