Acetone

Acetone

SCHEMBL22554792

CC(C)=O.NNC(=O)CCCCC(=O)NN

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.52
KDM5C P41229 1/20 0.52
PHF8 Q9UPP1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
GAA P10253 1/20 0.52
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
FAAH O00519 2/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Acetone SCHEMBL6392906 1.00 CTSD (0.59) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL5606148 0.92 CTSD (0.56) CTSDALDH1A1KDM4EKDM5CPHF8
Acetic Acid SCHEMBL6534753 0.92 CTSD (0.56) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL28219205 0.91 ALDH1A1 (0.62) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL49856 0.91 ALDH1A1 (0.62) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL18177795 0.90 CTSD (0.54) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL9007204 0.88 ALDH1A1 (0.60) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL1630195 0.88 ALDH1A1 (0.60) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL4187314 0.88 KDM4E (0.65) CTSDALDH1A1KDM4EKDM5CPHF8
SCHEMBL10396767 0.88 ALDH1A1 (0.67) CTSDALDH1A1KDM4EKDM5CPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230407106-A1 BIO-BASED MONOMERS AND POLYMERS MADE THEREFROM COLUMBIA INSURANCE COMPANY 2023-12-21 US disclosed
US-20230279168-A1 BIO-BASED MONOMERS AND POLYMERS MADE THEREFROM COLUMBIA INSURANCE COMPANY 2023-09-07 US disclosed
US-11345828-B2 Siloxane-modified binders and compositions thereof COLUMBIA INSURANCE CO. (US) 2022-05-31 US disclosed
US-20200332067-A1 SILOXANE-MODIFIED BINDERS AND COMPOSITIONS THEREOF COLUMBIA INSURANCE CO. (US) 2020-10-22 US disclosed