SCHEMBL5334622

SCHEMBL5334622

COc1cc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)ccc1OCc1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.49
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAOB P27338 6/20 0.45
MAOA P21397 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RET P07949 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 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
SCHEMBL5338294 0.92 MAOB (0.47) VCPFLT1FLT4KDRMAOB
SCHEMBL14465935 0.90 FLT1 (0.55) VCPFLT1FLT4KDRMAOB
SCHEMBL5343035 0.88 KDR (0.46) VCPFLT1FLT4KDRMAOB
SCHEMBL5341664 0.87 MAOB (0.47) FLT1FLT4KDRMAOBMAOA
SCHEMBL5340105 0.86 FLT1 (0.55) VCPFLT1FLT4KDRMAOB
SCHEMBL5339024 0.83 MAOB (0.47) VCPFLT1FLT4KDRMAOB
SCHEMBL5350220 0.83 VCP (0.67) VCPMAOBMAOAROCK2ROCK1
SCHEMBL5340827 0.83 FLT1 (0.48) FLT1FLT4KDRMAOBMAOA
SCHEMBL5344443 0.83 KDR (0.59) VCPFLT1FLT4KDRMAOB
SCHEMBL5334189 0.82 FLT1 (0.52) FLT1FLT4KDRMAOBROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed