SCHEMBL8926604

SCHEMBL8926604

CCOC(=O)C(C)(C)Oc1ccc(C(NC(=O)Nc2ccc(F)cc2F)C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
PKM P14618 2/20 0.49
PPARA Q07869 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
FBP1 P09467 2/20 0.41
PPARD Q03181 1/20 0.40

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
SCHEMBL8767793 0.87 POLB (0.53) POLBMAPTHTTPKMPPARA
SCHEMBL8924220 0.83 TAS1R3 (0.54) POLBMAPTHTTPPARAABCB11
SCHEMBL8926594 0.75 PPARA (0.52) POLBMAPTHTTPKMPPARA
SCHEMBL1417870 0.73 PPARA (0.71) MAPTHTTPPARAABCB11CYP1A2
SCHEMBL9107793 0.71 TAS1R3 (0.47) POLBMAPTHTTPPARAABCB11
SCHEMBL8768601 0.71 PPARG (0.70) MAPTHTTPPARAPPARGPPARD
SCHEMBL8768837 0.70 PPARG (0.82) PPARAPPARGPPARD
SCHEMBL1417534 0.69 FBP1 (0.62) POLBMAPTHTTPPARAABCB11
SCHEMBL8768942 0.69 KMT2A (0.57) POLBMAPTHTTTSHRKMT2A
SCHEMBL8540230 0.68 PKM (0.56) POLBMAPTHTTPKMKMT2A

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 1 patent. 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