SCHEMBL11460190

SCHEMBL11460190

CCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.55
LMNA P02545 4/20 0.53
MAPK1 P28482 2/20 0.53
ADORA2B P29275 1/20 0.52
RXFP1 Q9HBX9 5/20 0.49
ALDH1A1 P00352 1/20 0.49
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
UBE2N P61088 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Theofibrate SCHEMBL49272 0.86 ADORA2B (0.60) LMNAMAPK1ADORA2BRXFP1ALDH1A1
Theofibrate SCHEMBL3960649 0.86 ADORA2B (0.60) LMNAMAPK1ADORA2BRXFP1ALDH1A1
Theofibrate SCHEMBL28085094 0.76 LMNA (0.51) LMNAMAPK1ADORA2BRXFP1ALDH1A1
SCHEMBL11071767 0.75 OPRK1 (0.81) OPRK1LMNAMAPK1ALDH1A1SMN1; SMN2
Acefylline Clofibrol SCHEMBL2110473 0.74 MAPK1 (0.61) LMNAMAPK1ADORA2BRXFP1SMN1; SMN2
SCHEMBL10963461 0.73 LMNA (0.58) LMNAMAPK1ADORA2BRXFP1ALDH1A1
Beclobrate SCHEMBL49779 0.73 OPRK1 (1.00) OPRK1LMNAMAPK1ALDH1A1SMN1; SMN2
Beclobrate SCHEMBL3950803 0.73 OPRK1 (1.00) OPRK1LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7141074 0.73 RXFP1 (0.73) LMNAMAPK1ADORA2BRXFP1ALDH1A1
SCHEMBL11823621 0.72 LMNA (0.48) LMNAMAPK1ADORA2BRXFP1SMN1; SMN2

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
US-4182902-A P-(P'-CHLOROBENZYL) PHENOXYACETIC ACID SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-01-08 US disclosed
US-4153803-A Cholesterol-lowering phenoxyalkanoic acid esters SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-05-08 US disclosed