SCHEMBL469864

SCHEMBL469864

CCCC(=O)CCc1ccc(-c2ccc(OCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC5A1 P13866 2/20 0.52
SLC5A2 P31639 2/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 1/20 0.52
IAPP P10997 1/20 0.50
F2RL1 P55085 1/20 0.49
ACACB O00763 3/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.45
MMP12 P39900 1/20 0.44
NQO1 P15559 1/20 0.44

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
SCHEMBL469923 0.84 FFAR1 (0.69) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL26638196 0.84 FFAR1 (0.59) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL12000868 0.81 CYP4F2 (0.64) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL1295644 0.81 SLC5A1 (0.55) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL10138384 0.80 PLK1 (0.51) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL10613369 0.79 NQO1 (0.58) L3MBTL1FFAR1FFAR4MAPTTHRB
SCHEMBL17614864 0.79 NQO1 (0.58) L3MBTL1FFAR1FFAR4MAPTTHRB
SCHEMBL26638128 0.79 SLC5A1 (0.50) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL8819093 0.78 SLC5A1 (0.59) LMNAL3MBTL1SLC5A1SLC5A2FFAR1
SCHEMBL1205605 0.78 LMNA (0.75) LMNAL3MBTL1SLC5A1SLC5A2FFAR1

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
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed