Acetone

Acetone

SCHEMBL11666554

CC(C)=O.COc1cc(-c2cc3ccccc3[nH]2)ccc1OCc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.52
SRD5A2 P31213 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL11657506 0.94 RAB9A (0.53) SRD5A1SRD5A2PDE4APDE4BPDE4C
SCHEMBL11655564 0.90 RAB9A (0.53) SRD5A1SRD5A2PDE4APDE4BPDE4C
Alcohol SCHEMBL11667570 0.88 PDE4A (0.52) SRD5A1SRD5A2PDE4APDE4BPDE4C
SCHEMBL11643565 0.84 MAPT (0.49) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL11641323 0.81 NPC1 (0.49) SRD5A2RAB9ANPC1HPGDMEN1
Acetone SCHEMBL11664776 0.81 MAPT (0.48) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL11655463 0.81 RAB9A (0.49) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL11654006 0.81 MAPT (0.57) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL10796083 0.80 RAB9A (0.67) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL30770801 0.80 RAB9A (0.67) RAB9ANPC1HPGDSMN1; SMN2MEN1

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-4096112-A POLYVINYL CHLORIDE LABAZ (FR) 1978-06-20 US disclosed