SCHEMBL27385121

SCHEMBL27385121

COC(=O)c1ccc(OCc2cccc(C(C)=O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.68
MAOB P27338 12/20 0.64
MAOA P21397 3/20 0.63
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
PKM P14618 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL6960292 0.94 MRGPRX4 (0.72) MRGPRX4MAOBMAOARAB9ASMN1; SMN2
SCHEMBL10659025 0.89 MRGPRX4 (0.74) MRGPRX4MAOBMAOA
SCHEMBL21578904 0.86 MRGPRX4 (0.76) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL15296747 0.84 MAOB (0.74) MRGPRX4MAOBMAOARAB9ASMN1; SMN2
SCHEMBL3646136 0.84 RAB9A (0.65) MRGPRX4MAOBRAB9ASMN1; SMN2TP53
SCHEMBL12885852 0.84 MRGPRX4 (0.74) MRGPRX4RAB9ASMN1; SMN2TP53PKM
SCHEMBL23189125 0.84 MAOB (0.82) MRGPRX4MAOBMAOARAB9ASMN1; SMN2
SCHEMBL6959174 0.84 NPC1 (0.73) MAOBMAOARAB9ASMN1; SMN2NPC1
SCHEMBL2196098 0.83 MAOB (0.75) MRGPRX4MAOBMAOA
SCHEMBL21221698 0.83 MRGPRX4 (0.72) MRGPRX4MAOBRAB9ASMN1; SMN2TP53

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
CN-1068308-C Substituted benzoylguanide preparation and pharmaceutical application of same HOECHST AG (DE) 2001-07-11 CN disclosed
CN-1097737-A Benzoyl guanidine, its method for making that replaces and contain their medicine and application HOECHST AG (DE) 1995-01-25 CN disclosed