SCHEMBL4622685

SCHEMBL4622685

C/C(=C\c1ccc(Nc2ccccc2)cc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
GAA P10253 3/20 0.51
GFER P55789 1/20 0.51
POLB P06746 1/20 0.51
AKR1C3 P42330 1/20 0.50
ALDH1A1 P00352 6/20 0.47
HSP90AA1 P07900 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
HDAC1 Q13547 1/20 0.46
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX12 P18054 2/20 0.43

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
SCHEMBL378903 1.00 MAPT (0.51) MAPTGAAGFERPOLBAKR1C3
SCHEMBL5073489 0.86 AKR1C3 (0.69) MAPTGAAGFERPOLBAKR1C3
SCHEMBL5073492 0.86 AKR1C3 (0.69) MAPTGAAGFERPOLBAKR1C3
SCHEMBL554744 0.84 AKR1C3 (0.69) GAAAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL476911 0.84 AKR1C3 (0.69) GAAAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL5072384 0.82 MAPT (0.50) MAPTGAAGFERPOLBAKR1C3
SCHEMBL5072381 0.82 MAPT (0.50) MAPTGAAGFERPOLBAKR1C3
SCHEMBL5830527 0.82 AKR1C3 (0.52) MAPTGAAPOLBAKR1C3ALDH1A1
SCHEMBL5830531 0.82 AKR1C3 (0.52) MAPTGAAPOLBAKR1C3ALDH1A1
SCHEMBL11763819 0.79 KDM4E (0.67) MAPTPOLBALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321489-B1 Preparation and use of a nanocomposite of elastomer and exfoliated clay platelets formed in situ within an elastomer host and articles of manufacture, including tires, having at least one component comprised thereof GOODYEAR TIRE & RUBBER (US) 2008-04-30 EP claimed
CN-109415649-B Hydraulic fluid composition 路博润公司 2022-11-08 CN disclosed
JP-2005200648-A GRAFT COPOLYMER, IT'S MANUFACTURING METHOD AND COMPOSITION CONTAINING IT AFTON CHEMICAL CORP 2005-07-28 JP disclosed
US-5171768-A Continuous processing in four zones; selective addition of conjugated diene to partially polymerized non-carboxylic monomer; butadiene-itaconic acid-butadiene terpolymer THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-12-15 US disclosed
US-5135996-A Using coordination catalysts TEXACO INC. (US) 1992-08-04 US disclosed