SCHEMBL8924220

SCHEMBL8924220

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
LPAR1 Q92633 3/20 0.45
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
PPARA Q07869 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9107793 0.87 TAS1R3 (0.47) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL8768942 0.87 KMT2A (0.57) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL8926604 0.83 POLB (0.56) KMT2AMEN1MAPTTSHRABCB11
SCHEMBL8768817 0.81 MAPT (0.55) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL9233473 0.76 KMT2A (0.60) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL8924202 0.75 TSHR (0.47) TAS1R3TAS1R1KMT2AMAPTALDH1A1
SCHEMBL8768099 0.74 TSHR (0.52) TAS1R3TAS1R1MAPTALDH1A1TSHR
SCHEMBL8767887 0.73 PPARA (0.43) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL8768174 0.73 ALDH1A1 (0.56) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL9111522 0.73 ALDH1A1 (0.54) TAS1R3TAS1R1KMT2AMEN1MAPT

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