SCHEMBL8867697

SCHEMBL8867697

COc1ccc(CCCC(=O)OCCCCCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
NAAA Q02083 1/20 0.48
F2RL1 P55085 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CALM1 P0DP23 1/20 0.46

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
SCHEMBL31329309 0.89 DGKA (0.54) ALOX5NAAA
SCHEMBL28577101 0.87 ALOX5 (0.57) ALOX5F2RL1ALDH1A1TDP1CALM1
SCHEMBL15164336 0.87 ALOX5 (0.60) ALOX5MAPTL3MBTL1RECQLKMT2A
SCHEMBL28579204 0.84 ALOX5 (0.57) ALOX5L3MBTL1RECQLKMT2ALMNA
SCHEMBL8867570 0.82 TDP1 (0.62) ALOX5MAPTKMT2ALMNAALDH1A1
SCHEMBL8867973 0.82 TDP1 (0.62) ALOX5MAPTKMT2ALMNAALDH1A1
SCHEMBL8868655 0.82 TDP1 (0.62) ALOX5MAPTKMT2ALMNAALDH1A1
SCHEMBL5833853 0.81 ALDH1A1 (0.53) MAPTL3MBTL1KMT2ALMNAALDH1A1
SCHEMBL1239542 0.81 ALOX5 (0.65) ALOX5MAPTL3MBTL1KMT2ALMNA
SCHEMBL15164337 0.81 ALOX5 (0.60) ALOX5MAPTL3MBTL1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 US disclosed
EP-0664788-A1 SUBSTITUTED ETHANOLAMINE ESTERS Byk Nederland BV (NL) 1995-08-02 EP disclosed
WO-1994008945-A1 SUBSTITUTED ETHANOLAMINE ESTERS BYK NEDERLAND BV (NL) 1994-04-28 WO disclosed