SCHEMBL859908

SCHEMBL859908

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
NOTUM Q6P988 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX1 P51575 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR1 P25103 2/20 0.31
TACR2 P21452 1/20 0.31
CES1 P23141 1/20 0.31
CFTR P13569 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
SCHEMBL860266 0.86 ALDH1A1 (0.39) CA12CA1CA9MASP2F2
SCHEMBL860121 0.85 ALDH1A1 (0.41) CES2NOTUMCA1CA9HDAC3
SCHEMBL13479786 0.84 CES2 (0.43) CES2NOTUMMASP2F2P2RX1
SCHEMBL859769 0.84 POLB (0.46) CES2NOTUMMEN1KMT2A
SCHEMBL859516 0.82 ALDH1A1 (0.45) CES2NOTUMCA12CA1CA9
SCHEMBL860269 0.82 MAPT (0.40) HDAC3HDAC8HDAC6KMT2A
SCHEMBL859763 0.81 KDM4E (0.37) CA12CA1CA9MASP2F2
SCHEMBL859762 0.80 CA9 (0.37) CA12CA1CA9MASP2F2
SCHEMBL3824828 0.78 KMT2A (0.44) CA12CA1CA9MASP2F2
SCHEMBL860085 0.75 TNF (0.38) CA12CA1CA9

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