SCHEMBL8925626

SCHEMBL8925626

CCCCCCCN(Cc1ccc(OCCCC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
SOAT1 P35610 2/20 0.48
PPARA Q07869 5/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HPGD P15428 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
ACAT1 P24752 1/20 0.43
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
SCHEMBL8923414 0.92 PPARA (0.56) TSHRSOAT1PPARAPPARGPPARD
SCHEMBL9577853 0.91 TSHR (0.56) TSHRSOAT1GAAHTTHDAC1
SCHEMBL9577605 0.88 TSHR (0.51) TSHRSOAT1PPARAPPARGPPARD
SCHEMBL9251911 0.88 HDAC1 (0.53) TSHRSOAT1GAAHTTHDAC1
SCHEMBL8767730 0.86 PPARA (0.46) TSHRSOAT1PPARAPPARGPPARD
SCHEMBL8768686 0.86 PPARA (0.61) TSHRSOAT1PPARAPPARGPPARD
SCHEMBL8767784 0.86 PPARA (0.61) TSHRSOAT1PPARAPPARGPPARD
SCHEMBL8767727 0.86 PPARA (0.61) TSHRSOAT1PPARAPPARGPPARD
SCHEMBL9261604 0.85 HDAC1 (0.51) TSHRSOAT1GAAHTTHDAC1
SCHEMBL8767679 0.85 PPARA (0.59) TSHRSOAT1PPARAPPARGPPARD

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