SCHEMBL4455459

SCHEMBL4455459

C=C(C)C(N=C=O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.39
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 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
SCHEMBL988808 0.77 HPGD (0.42) ALDH1A1KMT2ALMNAHPGD
SCHEMBL163750 0.74 ESR1 (0.43) ACP3ESR1ALDH1A1GAAMEN1
SCHEMBL27978287 0.73 ESR1 (0.42) ACP3ESR1ALDH1A1GAAMEN1
SCHEMBL8755636 0.73 ESR1 (0.42) ACP3ESR1ALDH1A1GAAMEN1
SCHEMBL4637046 0.72 ESR1 (0.41) ACP3ESR1ALDH1A1GAAMEN1
Styrene SCHEMBL6536411 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL29097794 0.69 ESR1 (0.45) ACP3ESR1ALDH1A1GAAHPGD
SCHEMBL9693612 0.68 ALDH1A1 (0.34) ACP3ESR1ALDH1A1MEN1KMT2A
SCHEMBL3764158 0.66 ESR1 (0.46) ACP3ESR1ALDH1A1GAAMEN1
SCHEMBL10902580 0.66 ESR1 (0.34) ACP3ESR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076414-B2 Adhesion promoter composition W.M. BARR & COMPANY, INC. (US) 2011-12-13 US claimed
WO-2009085296-A1 IMPROVED ADHESION PROMOTER COMPOSITION W.M. BARR & COMPANY, INC. (US) 2009-07-09 WO claimed
US-20090169755-A1 Adhesion promoter composition FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2009-07-02 US claimed
US-8076414-B2 Adhesion promoter composition W.M. BARR & COMPANY, INC. (US) 2011-12-13 US disclosed
US-8076414-B2 Adhesion promoter composition W.M. BARR & COMPANY, INC. (US) 2011-12-13 US disclosed
WO-2009085296-A1 IMPROVED ADHESION PROMOTER COMPOSITION W.M. BARR & COMPANY, INC. (US) 2009-07-09 WO disclosed
WO-2009085296-A1 IMPROVED ADHESION PROMOTER COMPOSITION W.M. BARR & COMPANY, INC. (US) 2009-07-09 WO disclosed
US-20090169755-A1 Adhesion promoter composition FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2009-07-02 US disclosed
US-20090169755-A1 Adhesion promoter composition FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2009-07-02 US disclosed