Acetone

Acetone

SCHEMBL29036017

CC(C)=O.CC(C)C(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MTOR P42345 2/20 0.53
TP53 P04637 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
THRB P10828 1/20 0.53
MDM2 Q00987 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
GMNN O75496 1/20 0.53
NFKB1 P19838 1/20 0.53
DNMT1 P26358 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
HBB P68871 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL29035988 0.98 LMNA (0.55) LMNAALDH1A1MTORTP53HTT
SCHEMBL29066139 0.88 LMNA (0.58) LMNAALDH1A1MTORTP53HTT
SCHEMBL2584809 0.88 LMNA (0.58) LMNAALDH1A1MTORTP53HTT
SCHEMBL16740976 0.84 LMNA (0.59) LMNAALDH1A1MTORTP53HTT
SCHEMBL15668653 0.84 LMNA (0.59) LMNAALDH1A1MTORTP53HTT
SCHEMBL2580815 0.84 LMNA (0.59) LMNAALDH1A1MTORTP53HTT
SCHEMBL15668655 0.84 LMNA (0.59) LMNAALDH1A1MTORTP53HTT
SCHEMBL16740975 0.84 LMNA (0.59) LMNAALDH1A1MTORTP53HTT
SCHEMBL15972295 0.84 LMNA (0.56) LMNAALDH1A1MTORTP53HTT
SCHEMBL28675761 0.83 LMNA (0.47) LMNAALDH1A1MTORTP53HTT

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
CN-115232185-A Preparation process of monatibavir 迪维实验室有限公司 2022-10-25 CN disclosed