SCHEMBL8767887

SCHEMBL8767887

CCCCCCCC(NC(=O)Nc1ccccc1OC)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
PPARG P37231 1/20 0.43
MAPT P10636 4/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ANPEP P15144 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.37

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
SCHEMBL8767702 0.91 L3MBTL1 (0.45) PPARAPPARGMAPTTSHRALDH1A1
SCHEMBL8768859 0.91 NPC1 (0.42) PPARAPPARGMAPTTSHRALDH1A1
SCHEMBL8768885 0.91 PPARA (0.41) PPARAPPARGMAPTTSHRALDH1A1
SCHEMBL8769019 0.90 UTS2R (0.47) PPARAPPARGTSHRALDH1A1ABCB11
SCHEMBL8768132 0.88 PPARA (0.43) PPARAPPARGTSHRALDH1A1ABCB11
SCHEMBL8767766 0.85 PPARA (0.39) PPARAPPARGMAPTTSHRALDH1A1
SCHEMBL8767854 0.83 PPARA (0.41) PPARAPPARGMAPTTSHRALDH1A1
SCHEMBL8768971 0.83 PPARA (0.41) PPARAPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL9111522 0.80 ALDH1A1 (0.54) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL8768911 0.80 PPARA (0.48) PPARAPPARGTSHRALDH1A1ABCB11

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 2 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 disclosed
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed