SCHEMBL860085

SCHEMBL860085

COCC(=O)ON1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(OC(=O)COC)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.38
ALDH1A1 P00352 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
RORC P51449 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
SCHEMBL860083 0.84 TNF (0.39) TNFALDH1A1CA9CA12CA1
SCHEMBL859762 0.83 CA9 (0.37) TNFALDH1A1CA9CA12CA1
SCHEMBL859500 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLB
SCHEMBL859768 0.78 TDP1 (0.51) ALDH1A1SMN1; SMN2POLB
SCHEMBL859763 0.76 KDM4E (0.37) ALDH1A1CA9CA12CA1POLB
SCHEMBL860266 0.76 ALDH1A1 (0.39) ALDH1A1CA9CA12CA1SMN1; SMN2
SCHEMBL860269 0.75 MAPT (0.40) TNFALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL859771 0.75 ALDH1A1 (0.48) ALDH1A1CA9CA1POLBMAPT
SCHEMBL859908 0.75 CES2 (0.37) CA9CA12CA1
SCHEMBL860263 0.74 TDP1 (0.40) ALDH1A1CA9MAPT

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
US-8142983-B2 Lithographic printing plate precursor and method of lithographic printing FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-8142983-B2 Lithographic printing plate precursor and method of lithographic printing FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20090233229-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-20090233229-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
EP-2100731-A2 Lithographic printing plate precursor and method of lithographic printing Fujifilm Corporation (JP) 2009-09-16 EP disclosed