SCHEMBL9709667

SCHEMBL9709667

COC(=O)CCC(CCCOc1cccnc1)OCCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
PTAFR P25105 2/20 0.39
KMT2A Q03164 2/20 0.39
TBXAS1 P24557 1/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
LRRK2 Q5S007 1/20 0.36
GRM2 Q14416 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
SCHEMBL9709491 0.82 KDM4E (0.40) ALDH1A1LMNA
SCHEMBL9709157 0.76 TEAD3 (0.40) FAAHALDH1A1LMNA
SCHEMBL9709586 0.75 TBXAS1 (0.62) TBXAS1
SCHEMBL9709801 0.75 TBXAS1 (0.52) TBXAS1
SCHEMBL9709805 0.75 TBXAS1 (0.52) TBXAS1
SCHEMBL9709655 0.73 TBXAS1 (0.58) TBXAS1FAAH
SCHEMBL9709646 0.73 TBXAS1 (0.58) TBXAS1FAAH
SCHEMBL11512794 0.73 TBXAS1 (0.39) LTA4HTBXAS1
SCHEMBL9709445 0.73 TBXAS1 (0.41) KMT2ATBXAS1CHRNB2CHRNA4ALDH1A1
SCHEMBL9709449 0.73 TBXAS1 (0.41) KMT2ATBXAS1CHRNB2CHRNA4ALDH1A1

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