SCHEMBL7609936

SCHEMBL7609936

CCCCc1ccc(NC(=O)N(O)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 1/20 0.58
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SPHK1 Q9NYA1 6/20 0.51
KDM4E B2RXH2 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
GALR3 O60755 1/20 0.50

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
SCHEMBL7613307 0.83 POLB (0.60) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL8107929 0.83 SAE1 (0.46) SMN1; SMN2GAAPOLBHPGDALDH1A1
SCHEMBL7615393 0.79 POLB (0.56) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL10363369 0.79 GAA (0.72) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL2019464 0.77 POLB (0.70) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL15094124 0.77 CA12 (0.74) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL27644948 0.76 POLB (0.68) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL2748237 0.76 POLB (0.73) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL9312715 0.76 POLB (0.84) NPC1RAB9ASMN1; SMN2GAAPOLB
SCHEMBL22854190 0.75 SPHK1 (0.63) NPC1RAB9ASMN1; SMN2GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP claimed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP claimed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 US claimed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO claimed
EP-0777471-B1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING & MFG (US) 2002-11-27 EP disclosed
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
US-5612377-A OXYUREA DERIVATIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-03-18 US disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed