SCHEMBL3430004

SCHEMBL3430004

CC(=O)NC(NC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
THRB P10828 2/20 0.48
RECQL P46063 2/20 0.48
NFKB1 P19838 2/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TGFBR1 P36897 2/20 0.38
CA2 P00918 1/20 0.37
PTGS1 P23219 1/20 0.37
MMP12 P39900 1/20 0.37
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL28498330 0.97 KDM4E (0.46) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL31575739 0.86 KDM4E (0.43) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL27690307 0.84 KDM4E (0.46) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL24064958 0.83 TGFBR1 (0.57) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL24837488 0.82 KDM4E (0.36) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL6661692 0.80 KDM4E (0.41) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL7523302 0.80 KDM4E (0.43) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL1644974 0.78 MAPT (0.42) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL14128838 0.77 SLC1A2 (0.50) KDM4EALOX15SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL143910 0.75 KDM4E (0.48) KDM4ETHRBRECQLNFKB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252575-B1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2012-12-19 EP disclosed
EP-2252575-A1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Oroxcell (FR) 2010-11-24 EP disclosed
WO-2009112703-A1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2009-09-17 WO disclosed