SCHEMBL8926644

SCHEMBL8926644

COc1ccc(NC(=O)NCCc2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 5/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.53
FPR2 P25090 1/20 0.52
LPAR1 Q92633 1/20 0.52
PPARA Q07869 2/20 0.52
FABP2 P12104 1/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL14345534 0.83 MEN1 (0.58) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL8768887 0.83 KDM4E (0.55) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2409902 0.81 KMT2A (0.63) KMT2AMEN1MAPTGAAHPGD
SCHEMBL14345282 0.79 KMT2A (0.48) KMT2AMEN1MAPTGAAHPGD
SCHEMBL8925777 0.78 PPARA (0.62) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL8768931 0.78 PPARA (0.52) MAPTGAAALDH1A1HTTPPARA
SCHEMBL9233473 0.77 KMT2A (0.60) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL11571602 0.77 KDM4E (0.59) MAPTALDH1A1PPARAFABP2PPARG
SCHEMBL8926283 0.77 PPARA (0.68) KMT2AMEN1MAPTPPARAPPARG
SCHEMBL8768942 0.77 KMT2A (0.57) KMT2AMEN1MAPTGAAALDH1A1

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-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