SCHEMBL6987389

SCHEMBL6987389

COc1cc(CC(Br)C(=O)CC2CCCCC2)c(OC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6987576 0.87 TSHR (0.43) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL6704355 0.73 ACHE (0.44) ELANEKDM4EALDH1A1MAPTTSHR
SCHEMBL6987698 0.72 NPSR1 (0.45) ELANEKDM4EALDH1A1HSD17B10PDE4A
SCHEMBL6703008 0.71 ALDH1A1 (0.41) ELANEKDM4EALDH1A1MAPTTSHR
SCHEMBL8152251 0.68 TAAR1 (0.50) ELANEKDM4ETDP1MEN1KMT2A
SCHEMBL27188344 0.66 TAAR1 (0.50) TAAR1
SCHEMBL5325670 0.66 TAAR1 (0.50) KDM4EALDH1A1MAPTHSD17B10TDP1
SCHEMBL10683365 0.66 TAAR1 (0.50) KDM4EALDH1A1MAPTHSD17B10TDP1
SCHEMBL2479796 0.65 ALDH1A1 (0.43) ELANEKDM4EALDH1A1MAPTTSHR
SCHEMBL2479798 0.65 ALDH1A1 (0.43) ELANEKDM4EALDH1A1MAPTTSHR

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-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed