SCHEMBL1768167

SCHEMBL1768167

O=C(O)CCc1ccc(-c2ccccc2)c(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.54
PTGER4 P35408 5/20 0.54
PTGER3 P43115 5/20 0.54
PTGER2 P43116 5/20 0.54
FFAR1 O14842 8/20 0.47
FFAR4 Q5NUL3 6/20 0.47
KEAP1 Q14145 1/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL7486019 0.83 PTGS1 (0.49) ADRA1ACYP2C9HTTTDP1CLCN2
SCHEMBL1768328 0.80 MEN1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL8479912 0.79 PTGER4 (0.70) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL5440013 0.79 FFAR4 (0.66) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL3746360 0.79 FFAR4 (0.66) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL5152941 0.77 NPSR1 (0.44) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL31212507 0.77 PTGER4 (0.77) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL1261128 0.77 PTGER4 (0.77) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL5153010 0.77 FFAR4 (0.53) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL6053663 0.75 PTGER4 (0.81) PTGER1PTGER4PTGER3PTGER2FFAR1

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-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed