SCHEMBL4032829

SCHEMBL4032829

COC(=O)Cc1ccccc1OCc1cc(OCc2nc(-c3ccccc3)sc2C)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
F2RL3 Q96RI0 4/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMPD1 P17405 1/20 0.38
CFD P00746 2/20 0.38

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
SCHEMBL4035150 0.93 PPARG (0.41) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL4038043 0.92 CFD (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1POLB
SCHEMBL4034564 0.85 PPARG (0.45) CFD
SCHEMBL4035147 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL4031217 0.84 MAPT (0.46) POLBMAPTKDM4E
SCHEMBL4035756 0.80 PPARA (0.37) POLBF2RL3KMT2AMEN1SMPD1
SCHEMBL4029865 0.80 SMPD1 (0.48) GAAL3MBTL1F2RL3CASP3KMT2A
SCHEMBL4032352 0.78 NOTUM (0.45) F2RL3SMPD1F2
SCHEMBL5105903 0.77 GAA (0.64) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL4038470 0.76 CFD (0.44) CFDKDM4E

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed