SCHEMBL4415181

SCHEMBL4415181

CCCC(=O)C(Cc1ccc(Br)c(COCC)c1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
ALOX15 P16050 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LDHA P00338 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 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
SCHEMBL4423069 0.90 LDHA (0.39) MMP8ALDH1A1CYP2D6CYP2C19FFAR4
SCHEMBL9710075 0.79 MMP8 (0.50) MMP8SMN1; SMN2ALDH1A1CYP2C19TP53
SCHEMBL15261926 0.76 SMN1; SMN2 (0.50) MMP8SMN1; SMN2ALDH1A1TSHRALOX15
SCHEMBL9592711 0.75 PPARG (0.46) MMP8ALDH1A1TP53TDP1
SCHEMBL1522685 0.74 MMP8 (0.64) MMP8SMN1; SMN2EPHX2ALDH1A1TSHR
SCHEMBL2425273 0.73 MMP8 (0.46) MMP8SMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL17336471 0.71 MMP8 (0.47) MMP8SMN1; SMN2EPHX2ALDH1A1TSHR
SCHEMBL15261460 0.71 FFAR1 (0.43) MMP8EPHX2
SCHEMBL9308568 0.70 MAPT (0.52) MMP8SMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL2761376 0.70 ALDH1A1 (0.35) ALDH1A1CYP2D6CYP2C19FFAR4RAB9A

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
WO-2009158309-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-30 WO disclosed
WO-2009158309-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-30 WO disclosed