Acetone

Acetone

SCHEMBL27555461

CC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)Cl.CC(C)=O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MME P08473 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ CTSS P25774 3/20 0.45
▸ CTSK P43235 2/20 0.45
▸ PAM P19021 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CTRB1 P17538 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42

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
SCHEMBL244885 0.84 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL12863002 0.84 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL17468460 0.84 NPSR1 (0.69) NPSR1MMEACEACE2MMP1
SCHEMBL27540746 0.84 NPSR1 (0.52) NPSR1MMEACEACE2CTSS
SCHEMBL684246 0.83 NPSR1 (0.55) NPSR1MMEACEACE2CTSS
SCHEMBL683352 0.83 NPSR1 (0.55) NPSR1MMEACEACE2CTSS
SCHEMBL28376588 0.83 CTSS (0.61) CTSSCTSKPAMNPC1RAB9A
SCHEMBL28376590 0.83 CTSS (0.61) CTSSCTSKPAMNPC1RAB9A
SCHEMBL12862963 0.82 NPSR1 (0.54) NPSR1MMEACEACE2MMP1
SCHEMBL7942092 0.81 NPSR1 (0.50) NPSR1MMEACEACE2CTSS

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-1289333-A Oxazole derivatives as serotonin-1A receptor ogonists AMERICAN HOME PROD (US) 2001-03-28 — — CN disclosed
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