SCHEMBL859516

SCHEMBL859516

O=C(ON1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C4=O)cc2C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
POLB P06746 3/20 0.40
CES2 O00748 1/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CA4 P22748 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
CA12 O43570 2/20 0.35
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL860121 0.85 ALDH1A1 (0.41) ALDH1A1POLBCES2TSHRATM
SCHEMBL13479786 0.84 CES2 (0.43) ALDH1A1CES2TSHRNOTUMMASP2
SCHEMBL859769 0.84 POLB (0.46) ALDH1A1POLBCES2MEN1KMT2A
SCHEMBL859908 0.82 CES2 (0.37) CES2CA1CA9MEN1KMT2A
SCHEMBL860134 0.78 ALDH1A1 (0.46) ALDH1A1POLBGAACA1CA2
SCHEMBL860126 0.78 ALDH1A1 (0.45) ALDH1A1POLBTSHRL3MBTL1GAA
SCHEMBL859502 0.76 ALDH1A1 (0.54) ALDH1A1POLBTSHRL3MBTL1GAA
SCHEMBL13611312 0.74 MASP2 (0.40) ALDH1A1CA9KMT2ANOTUMCA12
SCHEMBL23767395 0.71 CES2 (0.47) POLBCES2TSHRL3MBTL1GAA
SCHEMBL859771 0.70 ALDH1A1 (0.48) ALDH1A1POLBTSHRL3MBTL1GAA

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