SCHEMBL9047211

SCHEMBL9047211

CCCCCCCCCCCCc1nnn(C(C)(C)C(=O)OCC)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7506209 0.83 DAGLA (0.37) L3MBTL1TSHRMAPK1PPARAPPARG
SCHEMBL4407156 0.78 MIF (0.33) L3MBTL1TSHRMAPK1
SCHEMBL4405497 0.76 MIF (0.33) L3MBTL1TSHRMAPK1
SCHEMBL7510078 0.74 PKM (0.68) L3MBTL1MAPK1NPSR1ATMMAPT
SCHEMBL7507085 0.74 PKM (0.68) L3MBTL1MAPK1NPSR1ATMMAPT
SCHEMBL7515916 0.74 NPSR1 (0.41) NPSR1ATMPKMHSD17B10CYP2C9
SCHEMBL4408964 0.73 GABRA2 (0.35)
SCHEMBL4407891 0.73 ALDH1A1 (0.35) ATM
SCHEMBL4410762 0.71 MIF (0.33) ATM
SCHEMBL4409256 0.71 GABRA2 (0.34)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600950-B1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER LAMBERT CO (US) 1996-10-23 EP disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed
EP-0600950-A1 AMIDE TETRAZOLE ACAT INHIBITORS. WARNER LAMBERT CO (US) 1994-06-15 EP disclosed