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Acetone

Acetone

SCHEMBL11075902

CC(C)=O.NCCC1(CCN)CCCCC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ CACNA2D1 P54289 1/20 0.47
▸ CPB2 Q96IY4 6/20 0.34
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL158419 0.85 USP2 (0.41) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL15830654 0.79 USP2 (0.34) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL5608516 0.78 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL27643300 0.77 USP2 (0.38) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL16985068 0.76 USP2 (0.31) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
Chloroform SCHEMBL28408847 0.76 USP2 (0.35) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL5827901 0.75 USP2 (0.48) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL5827755 0.75 USP2 (0.48) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL15623908 0.74 USP2 (0.34) ALDH1A1SMN1; SMN2USP2LMNACYP1A2
SCHEMBL5586374 0.73 USP2 (0.32) ALDH1A1SMN1; SMN2USP2LMNACYP1A2

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-4452811-A VASODILATORS FIDIA S.P.A. (IT) 1984-06-05 — — US disclosed