SCHEMBL9709491

SCHEMBL9709491

COC(=O)CCC(CCCO)OCCCOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NAAA Q02083 1/20 0.39
MMP3 P08254 5/20 0.39
MMP8 P22894 4/20 0.39
MMP9 P14780 3/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FOLH1 Q04609 1/20 0.38
EPHX2 P34913 1/20 0.38
MMP1 P03956 4/20 0.37
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9709157 0.84 TEAD3 (0.40) KDM4EALDH1A1LMNANAAAMMP3
SCHEMBL9709667 0.82 LTA4H (0.43) ALDH1A1LMNA
SCHEMBL29215435 0.80 ALDH1A1 (0.48) KDM4EALDH1A1LMNATDP1
SCHEMBL24757124 0.78 LMNA (0.51) KDM4EALDH1A1LMNANAAAHTT
SCHEMBL4109675 0.78 LMNA (0.54) KDM4EALDH1A1LMNANAAAHTT
SCHEMBL12147930 0.77 EPHX2 (0.53) KDM4EALDH1A1LMNANAAAMMP3
SCHEMBL17264303 0.76 LMNA (0.47) KDM4EALDH1A1LMNAFOLH1TDP1
SCHEMBL25308442 0.76 EPHX2 (0.55) KDM4EALDH1A1LMNASMN1; SMN2EPHX2
SCHEMBL8077097 0.75 ALDH1A1 (0.57) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18205376 0.74 NAAA (0.48) KDM4EALDH1A1LMNANAAAMMP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed