SCHEMBL4225099

SCHEMBL4225099

COC(=O)C1(O)CCCC1Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4050823 0.94 MAPT (0.46) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL3620446 0.78 MAPT (0.39) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL21670228 0.78 MAPT (0.39) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL2839539 0.77 MAPT (0.38) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL28278368 0.73 MAPT (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL29646187 0.67
SCHEMBL21955432 0.67
SCHEMBL1709532 0.67 CYP3A4 (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL12919608 0.67 NPSR1 (0.41) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL3666455 0.67 NPSR1 (0.37) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2

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-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO disclosed