SCHEMBL860083

SCHEMBL860083

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL860085 0.84 TNF (0.38) TNFCA12CA1CA9MAPT
SCHEMBL859762 0.82 CA9 (0.37) TNFCA12CA1CA9HSD17B10
SCHEMBL860107 0.78 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPSR1RXFP1
SCHEMBL859909 0.78 TDP1 (0.50) MAPTHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL31463689 0.77 ALDH1A1 (0.47) TNFMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL859504 0.76 ALDH1A1 (0.47) CA1CA9MAPTALOX15CASP1
SCHEMBL859763 0.75 KDM4E (0.37) CA12CA1CA9HSD17B10ALDH1A1
SCHEMBL860266 0.75 ALDH1A1 (0.39) CA12CA1CA9MAPTALDH1A1
SCHEMBL859908 0.74 CES2 (0.37) CA12CA1CA9KMT2A
SCHEMBL3823145 0.73 KMT2A (0.35) CA12CA1CA9MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100731-B1 Lithographic printing plate precursor and method of lithographic printing FUJIFILM CORP (JP) 2012-06-20 EP disclosed
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