SCHEMBL8768174

SCHEMBL8768174

COc1ccc(NC(=O)NC(CCC(C)(C)C)c2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
LPAR1 Q92633 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL9111522 0.88 ALDH1A1 (0.54) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL9233473 0.84 KMT2A (0.60) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL8768942 0.83 KMT2A (0.57) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL8768119 0.77 MAPT (0.48) ALDH1A1MAPTTSHRKDM4E
SCHEMBL9108722 0.76 MAPT (0.51) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL8768817 0.76 MAPT (0.55) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL8926644 0.75 KMT2A (0.64) ALDH1A1MAPTKMT2AMEN1LPAR1
SCHEMBL8767827 0.73 GAA (0.52) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL8924220 0.73 TAS1R3 (0.54) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL8925777 0.72 PPARA (0.62) ALDH1A1MAPTTSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP claimed
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP claimed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO claimed
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed