SCHEMBL6205727

SCHEMBL6205727

COc1cccc(COc2cccc(C(=O)C=C(O)C(=O)O)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.63
MAOB P27338 10/20 0.56
MAOA P21397 3/20 0.56
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NR4A2 P43354 4/20 0.52
GPR52 Q9Y2T5 1/20 0.52
SMPD1 P17405 1/20 0.50
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6205720 1.00 MRGPRX4 (0.63) MRGPRX4MAOBMAOARAB9ASMN1; SMN2
SCHEMBL6205725 1.00 MRGPRX4 (0.63) MRGPRX4MAOBMAOARAB9ASMN1; SMN2
SCHEMBL6950492 0.89 NR4A2 (0.67) MRGPRX4MAOBMAOAPKMNR4A2
SCHEMBL6950489 0.89 NR4A2 (0.67) MRGPRX4MAOBMAOAPKMNR4A2
SCHEMBL15563733 0.87 MAOB (0.60) MAOBRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL15563734 0.87 MAOB (0.60) MAOBRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6951282 0.85 NR4A2 (0.70) MRGPRX4MAOBMAOARAB9APKM
SCHEMBL6951279 0.85 NR4A2 (0.70) MRGPRX4MAOBMAOARAB9APKM
SCHEMBL6946121 0.84 MAOB (0.66) MAOBMAOANR4A2SMPD1PTPN1
SCHEMBL6946117 0.84 MAOB (0.66) MAOBMAOANR4A2SMPD1PTPN1

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-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed