Acetone

Acetone

SCHEMBL8068256

CC(C)=O.CCCCC=Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.52
HDAC3 O15379 2/20 0.49
EGFR P00533 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.46
PDE5A O76074 1/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL15573543 0.91 SIGMAR1 (0.50) PAMHDAC3EGFRSIGMAR1MAOB
SCHEMBL22082 0.91 SIGMAR1 (0.50) PAMHDAC3EGFRSIGMAR1MAOB
SCHEMBL1295478 0.91 SIGMAR1 (0.50) PAMHDAC3EGFRSIGMAR1MAOB
Methacrylic Acid SCHEMBL18281365 0.90 PAM (0.46) PAMHDAC3EGFRTDP1GLA
Acrylic Acid SCHEMBL3803163 0.88 PAM (0.47) PAMHDAC3EGFRTDP1HTT
Ethyne SCHEMBL12081431 0.87 SIGMAR1 (0.47) PAMHDAC3EGFRSIGMAR1
SCHEMBL8830670 0.85 SIGMAR1 (0.46) PAMHDAC3EGFRSIGMAR1
SCHEMBL6289216 0.85 SIGMAR1 (0.49) PAMEGFRSOAT2SOAT1LMNA
SCHEMBL714035 0.85 SIGMAR1 (0.49) PAMEGFRSOAT2SOAT1LMNA
Styrene SCHEMBL9765286 0.84 PAM (0.44) PAMHDAC3EGFRTDP1HTT

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
US-6068158-A Pill distributor CHABOUT JEAN-MICHEL (FR) 2000-05-30 US disclosed
EP-0895770-A1 Drug dispenser Chabout, Jean-Michel (FR) 1999-02-10 EP disclosed