SCHEMBL9546782

SCHEMBL9546782

COC(=O)COC(=O)N1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5573133 0.78 ALDH1A1 (0.44) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL463653 0.78 P2RX4 (0.39) BRD4TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL21582363 0.75 BRD4 (0.35) BRD4TSHRL3MBTL1LMNAALDH1A1
Ethylene Glycol SCHEMBL28328461 0.75 P2RX4 (0.35) BRD4TSHRLMNAALDH1A1HPGD
SCHEMBL18485434 0.73 ALDH1A1 (0.39) TSHRLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL22729318 0.72 TSHR (0.50) BRD4TSHRL3MBTL1LMNAALDH1A1
SCHEMBL11424950 0.71 BCHE (0.40) BRD4TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL28317198 0.71 TSHR (0.34) TSHR
SCHEMBL10603308 0.70 BCHE (0.49) TSHRL3MBTL1LMNAALDH1A1HPGD
SCHEMBL11579499 0.70 P2RX4 (0.37) BRD4TSHRL3MBTL1LMNAALDH1A1

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