SCHEMBL8768859

SCHEMBL8768859

CCCCCCCC(NC(=O)Nc1ccccc1OCCC)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 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
GAA P10253 2/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.38
GPR88 Q9GZN0 3/20 0.38
PTPN1 P18031 3/20 0.38
USP2 O75604 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL8767887 0.91 PPARA (0.43) NPC1RAB9APPARAPPARGKMT2A
SCHEMBL8767702 0.90 L3MBTL1 (0.45) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768885 0.90 PPARA (0.41) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8769019 0.89 UTS2R (0.47) PPARAPPARGKMT2ATSHRABCB11
SCHEMBL8768132 0.86 PPARA (0.43) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8767854 0.82 PPARA (0.41) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768971 0.81 PPARA (0.41) PPARAPPARGKMT2ATSHRABCB11
SCHEMBL8767766 0.80 PPARA (0.39) PPARAPPARGKMT2ATSHRABCB11
SCHEMBL8768911 0.78 PPARA (0.48) PPARAPPARGTSHRABCB11CYP1A2
SCHEMBL8768853 0.76 HDAC6 (0.49) NPC1RAB9APPARAPPARGKMT2A

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