SCHEMBL9709561

SCHEMBL9709561

O=C(COCCCOCc1ccccc1)OCCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
TEAD3 Q99594 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
CASP1 P29466 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
PAM P19021 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL18282350 0.90 TSHR (0.53) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL20057183 0.89 NAAA (0.46) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL29441988 0.88 L3MBTL1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL26813230 0.88 NAAA (0.45) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL21068656 0.88 NAAA (0.45) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL1934676 0.87 ALDH1A1 (0.56) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL21068327 0.86 NAAA (0.44) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL21068903 0.86 NAAA (0.44) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL21458941 0.86 NAAA (0.44) NAAAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL21069059 0.86 NAAA (0.44) NAAAALDH1A1TDP1MAPK1L3MBTL1

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