Acetone

Acetone

SCHEMBL8588967

CC(C)=O.CC(C)=O.CCCP(c1ccccc1)c1ccccc1.[Pd]

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CES2 O00748 5/20 0.37
CES1 P23141 5/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34

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
Acetic Acid SCHEMBL27333745 0.94 CES2 (0.38) KDM4ECES2CES1LMNAALDH1A1
SCHEMBL3997009 0.89 TDP1 (0.39) KDM4ECES2CES1ALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL7936938 0.89 CES2 (0.39) KDM4ECES2CES1LMNAALDH1A1
Acetic Acid SCHEMBL15796550 0.89 CES2 (0.39) KDM4ECES2CES1LMNAALDH1A1
SCHEMBL163845 0.87 TDP1 (0.41) KDM4ECES2CES1ALDH1A1HPGD
Acetic Acid SCHEMBL1075968 0.85 ALDH1A1 (0.39) KDM4ECES2CES1LMNAALDH1A1
Hydrochloric Acid SCHEMBL6250361 0.85 TDP1 (0.39) KDM4EALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL9650051 0.85 TDP1 (0.39) KDM4ECES2CES1ALDH1A1HPGD
SCHEMBL3068169 0.85 TDP1 (0.39) KDM4ECES2CES1ALDH1A1HPGD
SCHEMBL5921753 0.85 TDP1 (0.39) KDM4ECES2CES1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0886662-A1 THERMOPLASTIC ELASTOMERIC CARBON MONOXIDE/OLEFIN COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 EP disclosed
WO-1997034943-A1 THERMOPLASTIC ELASTOMERIC CARBON MONOXIDE/OLEFIN COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO disclosed