SCHEMBL4035331

SCHEMBL4035331

Cc1ccc(C#N)c(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
PPARG P37231 10/20 0.52
PPARA Q07869 10/20 0.52
KDR P35968 1/20 0.50
MAPT P10636 5/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.46
PPARD Q03181 2/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL4035258 0.88 FFAR1 (0.56) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4037251 0.87 FFAR1 (0.54) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4032082 0.83 FFAR1 (0.59) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4032011 0.82 FFAR1 (0.70) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4032629 0.81 FFAR1 (0.64) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4037200 0.79 FFAR1 (0.46) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4030808 0.79 FFAR1 (0.54) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4286787 0.78 HDAC1 (0.58) L3MBTL1HDAC1TSHR
SCHEMBL6157895 0.78 FFAR1 (0.68) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4745022 0.77 FFAR1 (0.70) FFAR1PPARGPPARAKDRMAPT

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