SCHEMBL8958412

SCHEMBL8958412

CC(C)(C)OC(=O)c1ccccc1-c1ccc(CNC(=O)C2(N(C=O)OCc3ccccc3)CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
BDKRB1 P46663 2/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
MTTP P55157 2/20 0.35
PPARG P37231 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPIB P23284 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33
MAPT P10636 1/20 0.33
BRS3 P32247 1/20 0.32

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
SCHEMBL8958409 0.80 BDKRB1 (0.48) ACHEBDKRB1CHRNB2CHRNB4CHRNA3
SCHEMBL8958363 0.80 BDKRB1 (0.46) ACHEBDKRB1CHRNB2CHRNB4CHRNA3
SCHEMBL8958229 0.73 ACHE (0.51) ACHEBDKRB1CHRNB2CHRNB4CHRNA3
SCHEMBL8958127 0.73 MEN1 (0.40) ALDH1A1GAAKMT2ANPSR1MAPT
SCHEMBL7352459 0.69 L3MBTL1 (0.41) NPSR1
SCHEMBL9030773 0.69 CHRNB2 (0.45) ACHEBDKRB1CHRNB2CHRNB4CHRNA3
SCHEMBL18475231 0.68 ACHE (0.42) ACHEBDKRB1CHRNB2CHRNB4CHRNA3
SCHEMBL5782255 0.68 BDKRB1 (0.66) ACHEBDKRB1BRS3
SCHEMBL841128 0.68 PDCD1 (0.53) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9032066 0.68 GAA (0.48) ACHEBDKRB1CHRNB2CHRNB4CHRNA3

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
US-5559233-A 3-/P-PHENYLBENZYL/IMIDAZOLONES AND PYRIMIDONES SANOFI (FR) 1996-09-24 US disclosed
US-5352788-A Angiotensin antagonist ELF SANOFI (FR) 1994-10-04 US disclosed