SCHEMBL8072969

SCHEMBL8072969

CCc1ccc(OCc2cc(C(=O)O)cc(-c3cccc(C(=N)N)c3)c2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.54
MRGPRX4 Q96LA9 4/20 0.48
NR4A2 P43354 1/20 0.48
F10 P00742 1/20 0.48
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM2 Q14416 1/20 0.44

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
SCHEMBL7660549 0.90 F2 (0.52) F2MRGPRX4F10
SCHEMBL7454069 0.87 F2 (0.70) F2MRGPRX4NR4A2F10
SCHEMBL7670816 0.85 F10 (0.67) F2MRGPRX4NR4A2F10
SCHEMBL7669668 0.82 MRGPRX4 (0.65) F2MRGPRX4NR4A2F10TP53
SCHEMBL7660470 0.82 F2 (0.63) F2MRGPRX4NR4A2F10
SCHEMBL7664264 0.79 F2 (0.46) F2MRGPRX4NR4A2F10
SCHEMBL7719048 0.78 F2 (0.66) F2MRGPRX4NR4A2F10
SCHEMBL7664103 0.77 F10 (0.62) F2MRGPRX4NR4A2F10
SCHEMBL7454072 0.75 F2 (0.66) F2MRGPRX4NR4A2F10
SCHEMBL7450278 0.74 F2 (0.72) F2NR4A2F10

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
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed