SCHEMBL7530545

SCHEMBL7530545

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CRBN Q96SW2 4/20 0.34
ITGB3 P05106 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGAV P06756 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGAL P20701 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.32
ITGA4 P13612 1/20 0.30
DDB1 Q16531 3/20 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
Bicarbonate SCHEMBL14918 0.91 MAP3K14 (0.44) MAP3K14KMT2AMEN1APEX1TDP1
Oxalic Acid SCHEMBL9728854 0.89 MAP3K14 (0.43) MAP3K14KMT2AMEN1APEX1TDP1
SCHEMBL15494454 0.89
SCHEMBL11288 0.89
Acetic Acid SCHEMBL1034775 0.87 CRBN (0.44) MAP3K14KMT2AMEN1APEX1TDP1
Carbamic Acid SCHEMBL2782197 0.87 MEN1 (0.42) MAP3K14KMT2AMEN1APEX1TDP1
Ammonia Solution, Strong SCHEMBL25176856 0.86
Phosphine SCHEMBL22345181 0.86
Hydrochloric Acid SCHEMBL3986242 0.86
SCHEMBL320576 0.86

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