SCHEMBL4604638

SCHEMBL4604638

C#CCOc1ccc(C(=O)NC2CCCCC2)c(CC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.45
CNR2 P34972 14/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 7/20 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
SCHEMBL4602808 0.99 HPGD (0.44) ALDH1A1HPGDCNR2L3MBTL1RAB9A
SCHEMBL4605222 0.97 HPGD (0.41) ALDH1A1HPGDCNR2L3MBTL1RAB9A
SCHEMBL4604358 0.95 TAS1R3 (0.41) ALDH1A1HPGDCNR2CNR1
SCHEMBL4603506 0.87 HPGD (0.45) ALDH1A1HPGDCNR2L3MBTL1RAB9A
SCHEMBL4602587 0.85 HPGD (0.42) ALDH1A1HPGDCNR2L3MBTL1RAB9A
SCHEMBL4603249 0.83 HTR2A (0.41) ALDH1A1HPGDCNR2CNR1
SCHEMBL4603541 0.81 ALDH1A1 (0.48) ALDH1A1HPGDCNR2L3MBTL1RAB9A
SCHEMBL4603936 0.80 ALDH1A1 (0.49) ALDH1A1HPGDCNR2L3MBTL1RAB9A
SCHEMBL4602234 0.79 KDM4E (0.45) ALDH1A1CNR2L3MBTL1RAB9ACNR1
SCHEMBL4602882 0.78 CNR1 (0.44) ALDH1A1HPGDCNR2L3MBTL1RAB9A

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