Acetone

Acetone

SCHEMBL8337338

CC(=CCCO)C(=O)O.CC(C)=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.40
PPARG P37231 1/20 0.35
BACE1 P56817 1/20 0.33
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
TBXAS1 P24557 1/20 0.31
EP300 Q09472 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 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
SCHEMBL28832685 0.97 CD81 (0.41) CD81PPARGBACE1PTGS1AKR1C3
SCHEMBL45793 0.97
SCHEMBL16092 0.97
SCHEMBL28531941 0.95 CD81 (0.40) CD81PPARGBACE1PTGS1AKR1C3
Phosphine SCHEMBL28166002 0.95 CD81 (0.40) CD81PPARGBACE1PTGS1AKR1C3
Ethylene Glycol SCHEMBL28863335 0.95 CD81 (0.40) CD81PPARGBACE1PTGS1AKR1C3
Benzene SCHEMBL28203817 0.93 AKR1C3 (0.40) CD81PPARGBACE1PTGS1AKR1C3
SCHEMBL4925112 0.91 CD81 (0.38) CD81PPARGBACE1PTGS1AKR1C3
SCHEMBL759160 0.91 CD81 (0.38) CD81PPARGBACE1PTGS1AKR1C3
SCHEMBL15637858 0.91 CD81 (0.38) CD81PPARGBACE1PTGS1AKR1C3

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
EP-0914661-A1 CONDUCTIVE COMPOSITE ARTICLES BASED ON EXPANDABLE AND CONTRACTIBLE PARTICULATE MATRICES ZMS, LLC (US) 1999-05-12 EP disclosed
EP-0914661-A4 1999-05-12 EP disclosed
WO-1997015932-A1 CONDUCTIVE COMPOSITE ARTICLES BASED ON EXPANDABLE AND CONTRACTIBLE PARTICULATE MATRICES ZMS, LLC (US) 1997-05-01 WO disclosed