Acetone

Acetone

SCHEMBL8396804

C=C(C)C(=O)NC1CC2CCC1(C)C2(C)C.CC(C)=O.CC(C)=O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.56
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DPP4 P27487 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.39
CPB2 Q96IY4 4/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL474915 0.98 EPHX2 (0.57) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL27449777 0.98 EPHX2 (0.57) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL6314315 0.82 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1694528 0.79 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL3909801 0.79 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL9754167 0.79 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL23898650 0.77 MEN1 (0.59) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1071969 0.77 MEN1 (0.59) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL22345049 0.77 MEN1 (0.59) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL11571431 0.77 EPHX2 (0.61) EPHX2MEN1HTTKMT2ASMN1; SMN2

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-5885746-A COMPRISING A POLYMER BINDER, A MONOMER, A PHOTOINITIATOR ACTIVATED BY VISIBLE LASER LIGHT, A PHOTOSENSITIVE ACID-GENERATING AGENT AND A CHROMOGEN; OFFSET PRINTING; STORAGE STABILITY; RESOLUTION; MATERIALS HANDLING; EFFICIENCY TOKYO OHKA KOGYO CO., LTD. (JP) 1999-03-23 US claimed