Sugi Predict

Sugi Predict / Compounds / Butanone

Butanone

Butanone

SCHEMBL8041248

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nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ TSHR P16473 2/20 0.53
▸ FFAR3 O14843 1/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PAOX Q6QHF9 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ MAPK1 P28482 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 SCHEMBL959887 1.00 ALDH1A1 (0.59) ALDH1A1TDP1TSHRFFAR3TRPA1
Butanone SCHEMBL1627455 1.00 ALDH1A1 (0.59) ALDH1A1TDP1TSHRFFAR3TRPA1
Butanone SCHEMBL28114071 0.95 ALDH1A1 (0.53) ALDH1A1TDP1TSHRFFAR3TRPA1
Butanone SCHEMBL3901207 0.90 ALDH1A1 (0.48) ALDH1A1TDP1TSHRALOX15
Propionic Acid SCHEMBL6470513 0.86 FFAR3 (0.43) ALDH1A1TDP1TSHRFFAR3LMNA
Dimethylformamide SCHEMBL20183466 0.82 TDP1 (0.59) ALDH1A1TDP1TSHRFFAR3USP2
Dimethylformamide SCHEMBL11800137 0.82 TSHR (0.53) ALDH1A1TDP1TSHRTRPA1USP2
Dimethylformamide SCHEMBL11117184 0.82 TSHR (0.53) ALDH1A1TDP1TSHRTRPA1USP2
Dimethylformamide SCHEMBL10405953 0.82 TSHR (0.53) ALDH1A1TDP1TSHRUSP2ALOX15
Propionic Acid SCHEMBL27702359 0.82 FFAR3 (0.59) ALDH1A1TDP1TSHRFFAR3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877040-B1 Phenol resin composition and method of producing phenol resin DAINIPPON INK & CHEMICALS (JP) 2000-04-12 — — EP disclosed
US-5952447-A A NOVOLAK PHENOLIC RESIN IS THE REACTION PRODUCT OF A PHENOL, TRIAZINE AND ALDEHYDE; A HARDENER FOR EPOXY RESIN; A BIDNER DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-09-14 — — US disclosed
EP-0877040-A1 Phenol resin composition and method of producing phenol resin DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-11-11 — — EP disclosed