SCHEMBL4602808

SCHEMBL4602808

C#CCOc1ccc(C(=O)NC2CCCC2)c(CC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR2 P34972 13/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 7/20 0.42
KDM1A O60341 1/20 0.42
PTK2 Q05397 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
SCHEMBL4604638 0.99 ALDH1A1 (0.46) HPGDALDH1A1CNR2RAB9AL3MBTL1
SCHEMBL4605222 0.98 HPGD (0.41) HPGDALDH1A1CNR2RAB9AL3MBTL1
SCHEMBL4604358 0.96 TAS1R3 (0.41) HPGDALDH1A1CNR2CNR1PTK2
SCHEMBL4603506 0.88 HPGD (0.45) HPGDALDH1A1CNR2RAB9AL3MBTL1
SCHEMBL4602587 0.86 HPGD (0.42) HPGDALDH1A1CNR2RAB9AL3MBTL1
SCHEMBL4603249 0.84 HTR2A (0.41) HPGDALDH1A1CNR2CNR1
SCHEMBL4603541 0.82 ALDH1A1 (0.48) HPGDALDH1A1CNR2RAB9AL3MBTL1
SCHEMBL4603936 0.81 ALDH1A1 (0.49) HPGDALDH1A1CNR2RAB9AL3MBTL1
SCHEMBL4602234 0.80 KDM4E (0.45) ALDH1A1CNR2RAB9AL3MBTL1CNR1
SCHEMBL4602882 0.79 CNR1 (0.44) HPGDALDH1A1CNR2RAB9AL3MBTL1

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