SCHEMBL4604866

SCHEMBL4604866

C#CCOc1c(OC)cc(C(=O)NC2CCCC2)c(C)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 4/20 0.44
CNR1 P21554 3/20 0.44
HPGD P15428 1/20 0.43
PTK2 Q05397 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 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
SCHEMBL4604028 0.98 ALDH1A1 (0.48) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4603936 0.88 ALDH1A1 (0.49) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4604665 0.87 ALDH1A1 (0.50) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4602096 0.86 ALDH1A1 (0.46) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4603554 0.85 ALDH1A1 (0.46) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4241570 0.83 MEN1 (0.51) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4248615 0.82 MEN1 (0.54) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL4603541 0.81 ALDH1A1 (0.48) ALDH1A1RAB9AL3MBTL1CNR2CNR1
SCHEMBL4242233 0.81 MEN1 (0.56) ALDH1A1RAB9AL3MBTL1HPGDMEN1
SCHEMBL4602882 0.81 CNR1 (0.44) ALDH1A1RAB9AL3MBTL1CNR2CNR1

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
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed