SCHEMBL7597161

SCHEMBL7597161

CC(C)C[C@H](NC(=O)[C@H](C)c1ccccc1N1Cc2ccccc2C1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
DRD1 P21728 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MME P08473 3/20 0.46

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
SCHEMBL3147671 1.00 TP53 (0.48) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL11216784 0.82 NPC1 (0.64) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL23424751 0.73 NPC1 (0.54) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL9363533 0.69 NPC1 (0.49) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL7433137 0.69 MMP3 (0.52) MMESDCBPSDC2MMP2MMP3
SCHEMBL4783425 0.68 NPC1 (0.58) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10085769 0.68 SMN1; SMN2 (0.67) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL10086365 0.67 NPC1 (0.73) TP53SMN1; SMN2MEN1LMNACYP2D6
SCHEMBL7415930 0.67 ALOX15 (0.69) SMN1; SMN2MEN1LMNAKMT2ATHRB
SCHEMBL7415929 0.67 ALOX15 (0.69) SMN1; SMN2MEN1LMNAKMT2ATHRB

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-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 WO disclosed