SCHEMBL7515538

SCHEMBL7515538

CN(CC(=O)OCc1ccccc1)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
AKR1B10 O60218 1/20 0.46
TTR P02766 1/20 0.46
AKR1B1 P15121 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EGFR P00533 2/20 0.45
SRC P12931 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HTT P42858 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL8559873 0.83 EGFR (0.48) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL12547281 0.82 KMT2A (0.51) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL28985146 0.80 KMT2A (0.71) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL537056 0.77 LMNA (0.70) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL12548398 0.77 KMT2A (0.43) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL6900506 0.76 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL21814404 0.76 ALDH1A1 (0.54) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL25252134 0.75 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL2182699 0.75 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL14586581 0.75 ALDH1A1 (0.61) ALDH1A1HPGDMAPTKMT2ALMNA

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
US-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed
EP-1165492-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES Pharmacor Inc. (CA) 2002-01-02 EP disclosed
WO-2000059867-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR INC. (CA) 2000-10-12 WO disclosed