SCHEMBL8045457

SCHEMBL8045457

NC(Sc1ccccc1)C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HIF1A Q16665 1/20 0.34
PKM P14618 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.33
KIF11 P52732 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL10353198 0.73 ALPI (0.56) PKM
Bromide SCHEMBL10353196 0.72 ALPI (0.54) PKM
SCHEMBL15781198 0.72 LMNA (0.43) MAPK1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL15768221 0.72 LMNA (0.43) MAPK1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL6996344 0.71 CHRM1 (0.51) SMN1; SMN2L3MBTL1HIF1APKMLMNA
SCHEMBL9522165 0.69 SRC (0.53) MAPK1SMN1; SMN2L3MBTL1HIF1APKM
SCHEMBL28651090 0.69 THRB (0.40) MAPK1SMN1; SMN2L3MBTL1POLBPKM
SCHEMBL10458711 0.69 ANPEP (0.41) ALDH1A1
SCHEMBL9038953 0.68 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10769502 0.68 MMP8 (0.43) MAPK1SMN1; SMN2L3MBTL1HIF1APKM

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
EP-1001969-A1 PEPTIDOMIMETIC DERIVATIVES SUICIDAL INHIBITORS OF THE HIV PROLIFERATION ZAMBON GROUP S.p.A. (IT) 2000-05-24 EP disclosed
WO-1999001470-A2 PEPTIDOMIMETIC DERIVATIVES SUICIDAL INHIBITORS OF THE HIV PROLIFERATION ZAMBON GROUP S.P.A. (IT) 1999-01-14 WO disclosed