SCHEMBL8924202

SCHEMBL8924202

CCOC(=O)C(C)(C)Oc1ccc(CN(C(=O)Nc2ccc(OC)cc2OC)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.45
PPARA Q07869 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
MAPT P10636 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8768931 0.88 PPARA (0.52) TSHRHTTGAAALDH1A1PPARA
SCHEMBL8768915 0.87 TSHR (0.42) TSHRHTTGAALMNAALDH1A1
SCHEMBL8768099 0.87 TSHR (0.52) TSHRHTTGAALMNAALDH1A1
SCHEMBL8768980 0.84 PPARA (0.50) TSHRHTTGAALMNAALDH1A1
SCHEMBL8926594 0.83 PPARA (0.52) TSHRHTTGAAPPARAABCB11
SCHEMBL8768806 0.82 PPARA (0.50) TSHRHTTGAALMNAALDH1A1
SCHEMBL8925577 0.79 PPARA (0.60) TSHRHTTGAALMNAPPARA
SCHEMBL8924339 0.76 GAA (0.52) TSHRHTTGAALMNAALDH1A1
SCHEMBL8924220 0.75 TAS1R3 (0.54) TSHRHTTGAAALDH1A1PPARA
SCHEMBL8925832 0.75 PPARA (0.43) TSHRHTTGAALMNAPPARA

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