SCHEMBL8768817

SCHEMBL8768817

CCOC(=O)C(C)(C)Oc1ccc(C(CCc2ccc(Cl)cc2)NC(=O)Nc2ccc(OC)cc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
PPARA Q07869 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
UTS2R Q9UKP6 4/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.40
OPRK1 P41145 1/20 0.39

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
SCHEMBL8924220 0.81 TAS1R3 (0.54) MAPTTSHRALDH1A1ABCB11CYP1A2
SCHEMBL8768806 0.79 PPARA (0.50) MAPTTSHRALDH1A1ABCB11CYP1A2
SCHEMBL8768174 0.76 ALDH1A1 (0.56) MAPTTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL8767887 0.76 PPARA (0.43) MAPTTSHRALDH1A1ABCB11CYP1A2
SCHEMBL9111522 0.75 ALDH1A1 (0.54) MAPTTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL9107793 0.75 TAS1R3 (0.47) MAPTTSHRALDH1A1ABCB11CYP1A2
SCHEMBL8924202 0.72 TSHR (0.47) MAPTTSHRALDH1A1ABCB11CYP1A2
SCHEMBL11569933 0.71 ABCB11 (0.62) TSHRALDH1A1ABCB11CYP1A2CYP3A4
SCHEMBL11569935 0.71 ABCB11 (0.62) TSHRALDH1A1ABCB11CYP1A2CYP3A4
SCHEMBL8768911 0.71 PPARA (0.48) TSHRALDH1A1ABCB11CYP1A2CYP3A4

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