SCHEMBL9709157

SCHEMBL9709157

C=CCC(CCC(=O)OC)OCCCOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
NAAA Q02083 1/20 0.38
MMP3 P08254 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MAPT P10636 1/20 0.37
FAAH O00519 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FOLH1 Q04609 1/20 0.37
MMP1 P03956 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
SCHEMBL9709543 0.89 TBXAS1 (0.41) TEAD3ALDH1A1NAAAFAAH
SCHEMBL9709491 0.84 KDM4E (0.40) KDM4EALDH1A1LMNAEPHX2NAAA
SCHEMBL9709520 0.83 MMP3 (0.42) TEAD3KDM4EALDH1A1LMNAEPHX2
SCHEMBL9709518 0.83 MMP3 (0.42) TEAD3KDM4EALDH1A1LMNAEPHX2
SCHEMBL9709696 0.80 TEAD3 (0.44) TEAD3KDM4EALDH1A1EPHX2NAAA
SCHEMBL9709636 0.80 TEAD3 (0.41) TEAD3KDM4EEPHX2NAAAHTT
SCHEMBL12147930 0.78 EPHX2 (0.53) KDM4EALDH1A1LMNAEPHX2NAAA
SCHEMBL24757124 0.76 LMNA (0.51) KDM4EALDH1A1LMNAEPHX2NAAA
SCHEMBL25308442 0.76 EPHX2 (0.55) KDM4EALDH1A1LMNAEPHX2MAPT
SCHEMBL4109675 0.76 LMNA (0.54) KDM4EALDH1A1LMNAEPHX2NAAA

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