SCHEMBL8767702

SCHEMBL8767702

CCCCCCCC(NC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
PPARA Q07869 3/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.41
UTS2R Q9UKP6 2/20 0.40
TSHR P16473 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
CXCR2 P25025 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2C P18825 1/20 0.36
FAAH O00519 1/20 0.36
GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL8767887 0.91 PPARA (0.43) POLBPPARAPPARGTSHRABCB11
SCHEMBL8768859 0.90 NPC1 (0.42) POLBPPARAPPARGLMNATSHR
SCHEMBL8768885 0.90 PPARA (0.41) PPARAPPARGUTS2RTSHRABCB11
SCHEMBL8769019 0.89 UTS2R (0.47) PPARAPPARGUTS2RTSHRABCB11
SCHEMBL8768132 0.86 PPARA (0.43) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767854 0.82 PPARA (0.41) PPARAPPARGUTS2RTSHRABCB11
SCHEMBL8768971 0.81 PPARA (0.41) L3MBTL1PPARAPPARGUTS2RTSHR
SCHEMBL8767766 0.80 PPARA (0.39) L3MBTL1PPARAPPARGUTS2RTSHR
SCHEMBL8768911 0.78 PPARA (0.48) PPARAPPARGUTS2RTSHRABCB11
SCHEMBL8767691 0.77 PPARA (0.50) L3MBTL1POLBATMPPARAPPARG

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 4 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
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