SCHEMBL10022669

SCHEMBL10022669

CC[C@@H](C)c1ccc(C(=O)NO)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
MPO P05164 2/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HTT P42858 1/20 0.46
PLG P00747 2/20 0.46
KLK1 P06870 2/20 0.46

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
SCHEMBL10174227 0.82 ALDH1A1 (0.56) GAAALDH1A1HPGDHSD17B10USP2
SCHEMBL13898612 0.82 ALDH1A1 (0.53) GAAALDH1A1HPGDHSD17B10USP2
SCHEMBL2740732 0.81 CA12 (0.56) GAAALDH1A1HPGDHSD17B10USP2
SCHEMBL19618949 0.81 CA12 (0.56) GAAALDH1A1HPGDHSD17B10USP2
SCHEMBL13265140 0.81 HDAC8 (0.49) GAAALDH1A1HPGDHSD17B10LMNA
SCHEMBL15809416 0.78 HSP90AB1 (0.51) GAAALDH1A1HPGDHSD17B10USP2
SCHEMBL12926115 0.76 NR1I2 (0.45) MPOHDAC8HTTPLGKLK1
SCHEMBL11315020 0.76 GAA (0.54) GAAALDH1A1HPGDHSD17B10USP2
SCHEMBL23734496 0.76 MPO (0.44) GAAALDH1A1LMNAMPOHDAC8
SCHEMBL13656129 0.75 HDAC6 (0.71) ALDH1A1TP53HDAC8HDAC4HDAC2

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-20120027685-A1 DETERMINING THE CAPABILITY OF A TEST COMPOUND TO AFFECT SOLID TUMOR STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-02 US disclosed