SCHEMBL9709704

SCHEMBL9709704

O=CCC(CCCCOCc1ccccc1)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.46
MMP3 P08254 4/20 0.43
MMP8 P22894 4/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 3/20 0.41
EPHX2 P34913 1/20 0.40
TEAD3 Q99594 1/20 0.39
EPOR P19235 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CPA3 P15088 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9709699 1.00 FOLH1 (0.46) FOLH1MMP3MMP8MMP9MMP1
SCHEMBL9709579 0.89 FOLH1 (0.45) FOLH1MMP3MMP8MMP9MMP1
SCHEMBL9709585 0.89 FOLH1 (0.45) FOLH1MMP3MMP8MMP9MMP1
SCHEMBL9710045 0.84 FOLH1 (0.48) FOLH1MMP3MMP8MMP9MMP1
SCHEMBL27662880 0.84 MMP3 (0.41) FOLH1MMP3MMP8MMP9MMP1
SCHEMBL9710038 0.84 FOLH1 (0.48) FOLH1MMP3MMP8MMP9MMP1
SCHEMBL9709520 0.77 MMP3 (0.42) MMP3MMP8MMP9MMP1EPHX2
SCHEMBL9709518 0.77 MMP3 (0.42) MMP3MMP8MMP9MMP1EPHX2
SCHEMBL712393 0.77 MAPT (0.56) FOLH1EPHX2HTTSMN1; SMN2HDAC2
SCHEMBL25619355 0.76 EPHX2 (0.49) FOLH1MMP3MMP8MMP9EPHX2

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed