SCHEMBL14830487

SCHEMBL14830487

CCOc1c(C(=O)N(CC)CCCc2ccc(Cl)c(Cl)c2)cc[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PLA2G1B P04054 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
LIPG Q9Y5X9 3/20 0.34
LIPC P11150 1/20 0.34
FFAR1 O14842 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
SCHEMBL14830261 0.77 APEX1 (0.39) TSHRCDK8CLK4SMN1; SMN2SIGMAR1
SCHEMBL14830430 0.70 LIPG (0.54) LIPGLIPC
SCHEMBL14829884 0.69 C5AR1 (0.38) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL14830756 0.66 LIPG (0.62) LIPGLIPC
SCHEMBL14829928 0.63 CDK8 (0.41) TSHRCDK8CLK4MAPTCYP1A2
SCHEMBL14829829 0.63 CDK8 (0.41) TSHRCDK8CLK4MAPTCYP1A2
SCHEMBL4462445 0.62 CYP3A4 (0.50) TSHRMAPTSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL14229228 0.61 TSHR (0.53) TSHRSMN1; SMN2CYP3A4CYP2C9ALDH1A1
SCHEMBL25335504 0.60 IGF1R (0.49) CDK8CLK4MAPTCYP1A2CYP2C19
SCHEMBL31633280 0.60 MAPK1 (0.50) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760834-B1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2760834-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013048930-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed