SCHEMBL27697359

SCHEMBL27697359

CCCCOC(Br)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC2A1 P11166 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6824359 0.83 LTA4H (0.44) SMN1; SMN2DRD3L3MBTL1
SCHEMBL9053497 0.81 MAPT (0.39) MAPTRECQLPTGESALOX5PPARG
SCHEMBL27466473 0.80 CHRNB2 (0.40) SLC2A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL9069754 0.79 MAPT (0.39) MAPTRECQLSLC2A1HRH3MAPK1
SCHEMBL8955954 0.78 LTA4H (0.44) MAPK1SMN1; SMN2
SCHEMBL9070331 0.78 MAPT (0.38) MAPTRECQLPTGESALOX5PPARG
SCHEMBL29274538 0.76 NPC1 (0.44) SMN1; SMN2
SCHEMBL28903646 0.76 NPC1 (0.44) SMN1; SMN2
SCHEMBL4851262 0.76 NPC1 (0.44) SMN1; SMN2
SCHEMBL14791134 0.74 DNM1 (0.40) MAPTRECQLSLC2A1HRH3L3MBTL1

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
CN-101111267-B Stabilized polymeric thiol reagents NEKTAR THERAPEUTICS AL CORP 2012-12-05 CN disclosed
CN-101111267-A Stabilized polymeric thiol reagents NEKTAR THERAPEUTICS AL CORP (US) 2008-01-23 CN disclosed