SCHEMBL8900203

SCHEMBL8900203

CCC(CC)N(OCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL6119159 0.91 ALOX5 (0.44) ALOX5ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL7616466 0.82 L3MBTL1 (0.51) ALOX5L3MBTL1
SCHEMBL7617078 0.82 ALDH1A1 (0.48) ALDH1A1POLBKMT2AMEN1
SCHEMBL7613071 0.82 ALOX5 (0.40) ALOX5ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL3209123 0.79 ALDH1A1 (0.43) ALOX5ALDH1A1L3MBTL1PTGS1PTGS2
SCHEMBL4973395 0.78 ALDH1A1 (0.42) ALOX5ALDH1A1L3MBTL1PTGS1PTGS2
SCHEMBL1913624 0.78 ALDH1A1 (0.42) ALOX5ALDH1A1KMT2AMEN1
SCHEMBL28343493 0.78 ALDH1A1 (0.46) ALOX5ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL5267908 0.75 ALOX5 (0.39) ALOX5ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6120597 0.75 L3MBTL1 (0.47) ALOX5L3MBTL1

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
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed