SCHEMBL9709762

SCHEMBL9709762

C=CCC(CCCCOCc1ccccc1)CC(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.44
MMP3 P08254 4/20 0.40
MMP8 P22894 4/20 0.40
MMP9 P14780 3/20 0.40
EPHX2 P34913 2/20 0.40
MMP1 P03956 3/20 0.39
SLC1A1 P43005 1/20 0.39
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FOLH1 Q04609 1/20 0.38
FAAH O00519 1/20 0.36

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
SCHEMBL9709766 1.00 TEAD3 (0.44) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709585 0.85 FOLH1 (0.45) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709579 0.85 FOLH1 (0.45) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709674 0.84 TEAD3 (0.41) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709669 0.84 TEAD3 (0.41) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709520 0.81 MMP3 (0.42) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709518 0.81 MMP3 (0.42) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL9709696 0.80 TEAD3 (0.44) TEAD3EPHX2SLC1A1CYP2C19L3MBTL1
SCHEMBL8879002 0.79 MMP3 (0.49) TEAD3MMP3MMP8MMP9EPHX2
SCHEMBL8073713 0.78 MMP3 (0.48) TEAD3MMP3MMP8MMP9EPHX2

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