SCHEMBL13667491

SCHEMBL13667491

CCC(C)(C)C(=O)OCCNC(=O)Nc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.54
ITGAV P06756 2/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 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
SCHEMBL13667488 0.84 EPHX1 (0.63) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL13223598 0.84 POLB (0.40) ITGB3ITGAVKMT2AMEN1ALDH1A1
SCHEMBL801356 0.83 SMN1; SMN2 (0.53) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL13174558 0.82 POLB (0.43) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL10136182 0.81 MAOA (0.49) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL10165659 0.80 EPHX1 (0.48) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL10136175 0.80 TP53 (0.49) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL13667493 0.78 EPHX1 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL3253121 0.77 ITGB3 (0.57) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL1104199 0.77 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246693-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed