SCHEMBL9709518

SCHEMBL9709518

C=CCC(CCCCOCc1ccccc1)CCC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.42
MMP8 P22894 4/20 0.42
MMP9 P14780 3/20 0.42
EPHX2 P34913 1/20 0.42
TEAD3 Q99594 2/20 0.41
MMP1 P03956 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9709520 1.00 MMP3 (0.42) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL9709579 0.88 FOLH1 (0.45) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL9709585 0.88 FOLH1 (0.45) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL9709157 0.83 TEAD3 (0.40) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL12147930 0.81 EPHX2 (0.53) MMP3MMP8MMP9EPHX2KDM4E
SCHEMBL9709766 0.81 TEAD3 (0.44) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL9709762 0.81 TEAD3 (0.44) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL19912663 0.80 KDM4E (0.43) MMP3MMP8MMP9MMP1KDM4E
SCHEMBL9709674 0.80 TEAD3 (0.41) MMP3MMP8MMP9EPHX2TEAD3
SCHEMBL9709669 0.80 TEAD3 (0.41) MMP3MMP8MMP9EPHX2TEAD3

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