Acetone

Acetone

SCHEMBL9504391

CC(C)=O.CC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.69
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL4199850 0.96 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL14027916 0.96 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL4199851 0.96 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL9015138 0.87 CYP19A1 (0.69) CYP19A1LMNAMAPTCYP3A4
SCHEMBL10882654 0.86 CYP19A1 (0.70) CYP19A1LMNAMAPTCYP3A4
SCHEMBL10895875 0.85 CYP19A1 (0.69) CYP19A1LMNAMAPTCYP3A4
SCHEMBL29904015 0.84 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL23383834 0.83 CYP19A1 (0.73) CYP19A1LMNAMAPTCYP3A4
SCHEMBL11076539 0.83 CYP19A1 (0.73) CYP19A1LMNAMAPTCYP3A4
SCHEMBL524063 0.83 CYP19A1 (0.73) CYP19A1LMNAMAPTCYP3A4

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-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 EP disclosed
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 EP disclosed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 EP disclosed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 WO disclosed