SCHEMBL20179366

SCHEMBL20179366

C=CCC[C@@H](Cc1ccc(C(=O)OCc2ccc(OC(O)C(C)C)cc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PPARA Q07869 7/20 0.37
LMNA P02545 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FOLH1 Q04609 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 2/20 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
SCHEMBL20168293 0.86 PPARG (0.43) PPARGKMT2AMEN1PPARALMNA
SCHEMBL20168304 0.79 SMN1; SMN2 (0.46) PPARGKMT2AMEN1LMNAFOLH1
SCHEMBL20168303 0.77 CYP4F2 (0.49) PPARGPPARALMNAFOLH1ALDH1A1
SCHEMBL21578155 0.75 FOLH1 (0.38) PPARGPPARAFOLH1NPC1SMN1; SMN2
SCHEMBL20168733 0.75 FOLH1 (0.38) PPARGPPARAFOLH1NPC1SMN1; SMN2
SCHEMBL21578021 0.74 ELANE (0.44) PPARGKMT2AMEN1PPARALMNA
SCHEMBL20168324 0.72 FOLH1 (0.61) FOLH1ALDH1A1
SCHEMBL20179140 0.72 FOLH1 (0.61) FOLH1ALDH1A1
SCHEMBL20179271 0.72 ELANE (0.36) PPARGKMT2AMEN1PPARALMNA
SCHEMBL20179269 0.72 ELANE (0.36) PPARGKMT2AMEN1ALDH1A1MAPT

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
WO-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO disclosed