SCHEMBL4569575

SCHEMBL4569575

CC(=O)OC1CCC(c2ccc(-c3cc[nH]n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DGAT1 O75907 7/20 0.34
SLC18A3 Q16572 2/20 0.34
PRKAB2 O43741 3/20 0.33
PRKAG1 P54619 3/20 0.33
PRKAA2 P54646 3/20 0.33
PRKAA1 Q13131 3/20 0.33
PRKAG3 Q9UGI9 3/20 0.33
PRKAG2 Q9UGJ0 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
DHODH Q02127 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL27769375 0.77 XDH (0.40) NOTUMDGAT1
SCHEMBL4470890 0.77 DGAT1 (0.52) DGAT1
SCHEMBL4942984 0.76 DGAT1 (0.58) DGAT1
SCHEMBL5246202 0.75 ESR2 (0.55)
SCHEMBL4558845 0.75 ESR2 (0.55)
SCHEMBL14502635 0.74 KDM1A (0.48) DGAT1
SCHEMBL4492585 0.74 NOTUM (0.36) NOTUM
SCHEMBL9474246 0.74 SLC18A3 (0.40) NPC1RAB9ASLC18A3
SCHEMBL5438599 0.74 ALDH1A1 (0.45) NPC1RAB9ASLC18A3
SCHEMBL28002067 0.74 HSD17B1 (0.45) SLC18A3

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-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed