SCHEMBL7414723

SCHEMBL7414723

CCOc1ccc(OCc2cccc(C(=O)O)c2)c(C(Nc2ccc(C(=N)NO)cc2)C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
F2 P00734 3/20 0.46
F10 P00742 3/20 0.46
PRSS1 P07477 3/20 0.46
F7 P08709 3/20 0.46
PRSS2 P07478 2/20 0.46
F3 P13726 2/20 0.46
PRSS3 P35030 2/20 0.46
RAB9A P51151 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL7418427 0.93 MRGPRX4 (0.52) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL5882826 0.87 MRGPRX4 (0.49) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL5883573 0.86 MRGPRX4 (0.54) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL5883476 0.84 F10 (0.63) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL7143676 0.77 F2 (0.57) MRGPRX4SMN1; SMN2F2F10PRSS1
SCHEMBL7415363 0.77 F10 (0.49) F2F10PRSS1F7PRSS2
SCHEMBL7414799 0.76 F10 (0.50) F2F10PRSS1F7PRSS2
SCHEMBL5882703 0.75 F10 (0.54) F2F10PRSS1F7PRSS2
SCHEMBL5882886 0.73 F7 (0.81) MRGPRX4SMN1; SMN2F2F10PRSS1
SCHEMBL5882835 0.72 MRGPRX4 (0.54) MRGPRX4SMN1; SMN2TP53PKMNFKB1

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-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed