Acetone

Acetone

SCHEMBL8556723

CC(C)=O.Oc1cccc(Cl)c1O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 4/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ADAMTS4 O75173 1/20 0.48
EGFR P00533 1/20 0.48
FYN P06241 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
CA6 P23280 1/20 0.48
CDK2 P24941 1/20 0.48
MMP12 P39900 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL71077 0.88
SCHEMBL37816440 0.88
Formaldehyde SCHEMBL28567367 0.86 TSHR (0.54) TSHRALDH1A1CA1CA2LMNA
SCHEMBL25434481 0.85 TSHR (0.59) TSHRALDH1A1CA1CA2LMNA
Iodide SCHEMBL7156385 0.85 TSHR (0.59) TSHRALDH1A1CA1CA2LMNA
Pyrogallol SCHEMBL225781 0.83 CA1 (0.71) THRBALDH1A1CA1CA2LMNA
SCHEMBL1237641 0.76 THRB (0.71) TSHRTHRBALDH1A1CA1CA2
SCHEMBL29593170 0.76 THRB (0.71) TSHRTHRBALDH1A1CA1CA2
SCHEMBL30779693 0.76 KLKB1 (0.51) TSHRTHRBALDH1A1HPGDALOX15
SCHEMBL421701 0.76 KLKB1 (0.51) TSHRTHRBALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698026-B1 METHOD FOR PREPARING ERYTHRURONOLACTONE VIRGINIA TECH INTELL PROP (US) 1998-07-15 EP disclosed
EP-0698026-A1 METHOD FOR PREPARING ERYTHRURONOLACTONE VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1996-02-28 EP disclosed
US-5442079-A Method for preparing erythruronolactone VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (US) 1995-08-15 US disclosed
WO-1994026748-A1 METHOD FOR PREPARING ERYTHRURONOLACTONE VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1994-11-24 WO disclosed