SCHEMBL7337394

SCHEMBL7337394

CC(C)(C)OC(=O)C(N)Cc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.56
LTA4H P09960 3/20 0.51
GPR132 Q9UNW8 5/20 0.50
MMP13 P45452 2/20 0.46
PLG P00747 1/20 0.45
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
ADAMTS4 O75173 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LAP3 P28838 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CMKLR2 P46091 1/20 0.43
CMKLR1 Q99788 1/20 0.43

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
SCHEMBL7337381 1.00 ACACB (0.56) ACACBLTA4HGPR132MMP13PLG
SCHEMBL25318441 0.87 SLC7A5 (0.46) LTA4HALDH1A1MAPTHTTKDM4E
SCHEMBL30476014 0.87 SLC7A5 (0.46) LTA4HALDH1A1MAPTHTTKDM4E
SCHEMBL7342884 0.86 MAOB (0.52) ACACBLTA4HMMP13ADAMTS4ALDH1A1
SCHEMBL7342898 0.86 MAOB (0.52) ACACBLTA4HMMP13ADAMTS4ALDH1A1
SCHEMBL7338844 0.86 LTA4H (0.65) LTA4HLAP3
SCHEMBL7339057 0.86 LTA4H (0.65) LTA4HLAP3
SCHEMBL7338836 0.86 LTA4H (0.65) LTA4HLAP3
SCHEMBL31688840 0.83 GPR132 (0.61) ACACBGPR132MMP13CYP19A1CYP11B1
SCHEMBL7375941 0.83 ACACB (0.58) ACACBLTA4HGPR132MMP13PLG

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed