Acetone

Acetone

SCHEMBL6053753

CC(C)=O.COC(=O)CC(=O)C(C)(C)C.COC(=O)CC(=O)C(C)(C)C.O=[Ti]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
TET2 Q6N021 1/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL204758 0.91 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL27807390 0.88 GAA (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL1802758 0.80 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL6933557 0.79 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL27485802 0.79 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL28080200 0.77 KMT2A (0.36) TSHRALDH1A1KMT2A
SCHEMBL6053523 0.77 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL1809419 0.75 MGAM (0.37) MGAMGAASIMGAM2TSHR
Acetone SCHEMBL27953895 0.74 MGAM (0.71) MGAMGAASIMGAM2TSHR
SCHEMBL1807084 0.74 MGAM (0.35) MGAMGAASIMGAM2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022800-B2 Organosiloxane compositions DOW CORNING S.A. (BE) 2006-04-04 US claimed
US-20040214965-A1 Organosiloxane compositions DOW CORNING S.A. (BE) 2004-10-28 US claimed
EP-1254192-B1 ORGANOSILOXANE COMPOSITIONS DOW CORNING SA (BE) 2004-08-04 EP claimed
US-7022800-B2 Organosiloxane compositions DOW CORNING S.A. (BE) 2006-04-04 US disclosed
US-20040214965-A1 Organosiloxane compositions DOW CORNING S.A. (BE) 2004-10-28 US disclosed
EP-1254192-B1 ORGANOSILOXANE COMPOSITIONS DOW CORNING SA (BE) 2004-08-04 EP disclosed