SCHEMBL13667488

SCHEMBL13667488

CCC(C)(C)C(=O)OCCNC(=O)Nc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.63
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 8/20 0.51
GSK3B P49841 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 2/20 0.49
NPY5R Q15761 2/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK14 Q16539 1/20 0.45
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10165659 0.88 EPHX1 (0.48) EPHX1ALDH1A1KDM4EGSK3BHPGD
SCHEMBL13667491 0.84 ITGB3 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10136175 0.81 TP53 (0.49) EPHX1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL13667493 0.81 EPHX1 (0.40) EPHX1ALDH1A1MEN1KMT2ANPY5R
SCHEMBL13223598 0.81 POLB (0.40) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10105521 0.80 MAPT (0.42) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL801356 0.80 SMN1; SMN2 (0.53) EPHX1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10136182 0.80 MAOA (0.49) EPHX1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13174558 0.80 POLB (0.43) EPHX1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1087936 0.79 EPHX1 (0.62) EPHX1ALDH1A1KDM4EGSK3BHPGD

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