SCHEMBL19903884

SCHEMBL19903884

O=Cc1ccc(COc2cccc(C(NC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM3 P20309 7/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
NR4A2 P43354 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
SCHEMBL20373825 0.90 MAOA (0.59) MAOAMAOBKMT2ASMN1; SMN2CHRM3
SCHEMBL15775508 0.87 MEN1 (0.50) MAOAMAOBKMT2ASMN1; SMN2RAB9A
SCHEMBL15775507 0.87 MEN1 (0.50) MAOAMAOBKMT2ASMN1; SMN2RAB9A
SCHEMBL14166168 0.86 KMT2A (0.44) MAOAMAOBKMT2ACHRM3ALDH1A1
SCHEMBL15777839 0.86 SMPD1 (0.55) MAOAMAOBKMT2ASMN1; SMN2CHRM3
SCHEMBL20373866 0.86 CHRM3 (0.62) KMT2ASMN1; SMN2CHRM3RAB9ANPC1
SCHEMBL19984429 0.86 CHRM3 (0.62) KMT2ASMN1; SMN2CHRM3RAB9ANPC1
SCHEMBL19903853 0.86 MAOB (0.56) MAOAMAOBKMT2ASMN1; SMN2RAB9A
SCHEMBL15777842 0.86 SMPD1 (0.55) MAOAMAOBKMT2ASMN1; SMN2CHRM3
SCHEMBL16697221 0.86 RAB9A (0.46) MAOAMAOBKMT2ASMN1; SMN2CHRM3

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-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed