SCHEMBL9546485

SCHEMBL9546485

O=C1CC(OC(=O)OC2CCC2)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP12 P39900 2/20 0.36
MMP2 P08253 1/20 0.36
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
TP53 P04637 7/20 0.35
POLB P06746 1/20 0.35
MAP3K14 Q99558 1/20 0.33
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20595274 0.97 TP53 (0.38) MMP1MMP9MMP12DDB1CRBN
SCHEMBL4440353 0.95 TP53 (0.40) MMP1MMP9MMP12TP53POLB
SCHEMBL4827446 0.82 MAP3K14 (0.32) MAP3K14
SCHEMBL756451 0.81 CRBN (0.38) DDB1CRBNMAP3K14MEN1APEX1
SCHEMBL4827454 0.78 MAP3K14 (0.32) DDB1CRBNMAP3K14MEN1APEX1
SCHEMBL4396268 0.75 CRBN (0.35) DDB1CRBNMAP3K14MEN1APEX1
SCHEMBL1773976 0.75 CRBN (0.40) DDB1CRBNMAP3K14MEN1APEX1
SCHEMBL7264550 0.74 MAP3K14 (0.40) DDB1CRBNMAP3K14MEN1APEX1
SCHEMBL3949247 0.74 MAP3K14 (0.40) DDB1CRBNMAP3K14MEN1APEX1
SCHEMBL1421996 0.73 CHRM2 (0.39) TP53POLBMAP3K14MEN1APEX1

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed