Sugi Predict

Sugi Predict / Compounds / Butanone

Butanone

Butanone

SCHEMBL28114071

CCC(C)=O.CN(C)C=O.C[CH]C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ TSHR P16473 2/20 0.47
▸ FFAR3 O14843 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TRPA1 O75762 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
Butanone SCHEMBL8041248 0.95 ALDH1A1 (0.59) ALDH1A1TDP1TSHRFFAR3USP2
Butanone SCHEMBL959887 0.95 ALDH1A1 (0.59) ALDH1A1TDP1TSHRFFAR3USP2
Butanone SCHEMBL1627455 0.95 ALDH1A1 (0.59) ALDH1A1TDP1TSHRFFAR3USP2
Butanone SCHEMBL3901207 0.85 ALDH1A1 (0.48) ALDH1A1TDP1TSHRALOX15
Dimethylformamide SCHEMBL28083529 0.84 TDP1 (0.53) ALDH1A1TDP1TSHRFFAR3USP2
Propionic Acid SCHEMBL6470513 0.81 FFAR3 (0.43) ALDH1A1TDP1TSHRFFAR3
Butanone SCHEMBL1129513 0.80 — —
Dimethylformamide SCHEMBL20183466 0.78 TDP1 (0.59) ALDH1A1TDP1TSHRFFAR3USP2
Dimethylformamide SCHEMBL11800137 0.78 TSHR (0.53) ALDH1A1TDP1TSHRUSP2ALOX15
Dimethylformamide SCHEMBL10405953 0.78 TSHR (0.53) ALDH1A1TDP1TSHRUSP2ALOX15

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
CN-104487467-B Di-iso-propyl fumarate-cinnamic acid derivative analog copolymer and use its phase retardation film 东曹株式会社 2016-11-23 — — CN disclosed