SCHEMBL7530544

SCHEMBL7530544

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
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
CRBN Q96SW2 5/20 0.32
DDB1 Q16531 4/20 0.32
CYP19A1 P11511 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL7264550 0.82 MAP3K14 (0.40) MAP3K14GAATSHRMEN1APEX1
SCHEMBL3949247 0.82 MAP3K14 (0.40) MAP3K14GAATSHRMEN1APEX1
SCHEMBL2782193 0.80 MEN1 (0.40) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL57232 0.80 MAP3K14 (0.39) MAP3K14GAATSHRMEN1APEX1
SCHEMBL977159 0.78 MAP3K14 (0.38) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL18015890 0.78 MAP3K14 (0.38) MAP3K14GAATSHRMEN1APEX1
SCHEMBL11097052 0.78 CYP19A1 (0.36) MAP3K14CRBNDDB1CYP19A1LMNA
SCHEMBL3805680 0.77 MAP3K14 (0.36) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL756451 0.77 CRBN (0.38) MAP3K14GAATSHRMEN1APEX1
SCHEMBL4395652 0.76 MAP3K14 (0.39) MAP3K14MEN1APEX1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028910-A2 GEOMETRICALLY EFFICIENT PARTICLE AGGLUTINATION, PARTICULARLY TO DETECT LOW AFFINITY BINDING PALTI YORAM PROF (IL) 2002-04-11 WO disclosed
EP-0904361-A1 IMMOBILIZED ALLIINASE AND CONTINUOUS PRODUCTION OF ALLICIN YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 1999-03-31 EP disclosed
WO-1997039115-A1 IMMOBILIZED ALLIINASE AND CONTINUOUS PRODUCTION OF ALLICIN YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1997-10-23 WO disclosed