SCHEMBL3714636

SCHEMBL3714636

O=C(OC(=O)c1ccc(O)c(O)c1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL9701212 0.85 SELL (0.52) KMT2AMEN1USP2GAAKEAP1
SCHEMBL28318689 0.83 GAA (0.56) KMT2AMEN1USP2GAAKEAP1
SCHEMBL29042644 0.81 SMN1; SMN2 (0.46) KMT2AMEN1USP2GAAKEAP1
SCHEMBL8923912 0.81 SELL (0.55) KMT2AMEN1USP2GAAKEAP1
SCHEMBL2517850 0.77 ALDH1A1 (0.56) KMT2AMEN1USP2GAAKEAP1
SCHEMBL29493114 0.77 ALDH1A1 (0.56) KMT2AMEN1USP2GAAKEAP1
SCHEMBL6878151 0.76 LMNA (0.47) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL2941794 0.75 HPGD (0.58) KMT2AMEN1USP2GAAMAPT
SCHEMBL6937807 0.74 ALDH1A1 (0.67) KMT2AMEN1GAAMAPTLMNA
SCHEMBL322998 0.74 LMNA (0.58) KMT2AMAPTLMNASMN1; SMN2HSD17B10

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-2010112831-A1 LIQUID CRYSTAL ELASTOMER BEADS UNIVERSITY OF YORK (GB) 2010-10-07 WO disclosed