SCHEMBL7580924

SCHEMBL7580924

CCC(C)C(=O)Nc1ccc(F)c([Ti])c1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL19232114 0.77 ALDH1A1 (0.64) KDM4EALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL7137151 0.76 HDAC1 (0.46) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL13018930 0.76 MAPT (0.57) KDM4EALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL19464645 0.76 PKM (0.67) KDM4EALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL7144364 0.76 MAPK1 (0.47) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL2608534 0.75 KMT2A (0.61) KDM4EALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL29480045 0.74 KDM4E (0.40) KDM4EALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL7580934 0.73 CETP (0.48) KDM4EALDH1A1L3MBTL1GAAEPHX2
SCHEMBL28317699 0.72 PAX3 (0.44) KDM4EALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL17237541 0.72 EPHX2 (0.41) ALDH1A1L3MBTL1NPC1GAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249731-A2 Photosensitive composition and negative working lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2002-10-16 EP disclosed
EP-1238801-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2002-09-11 EP disclosed