SCHEMBL6704355

SCHEMBL6704355

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
HTR4 Q13639 3/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ELANE P08246 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
POLB P06746 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
SCHEMBL6703008 0.88 ALDH1A1 (0.41) ACHEHTR4ALDH1A1KDM4EHSD17B10
SCHEMBL6699183 0.81 PARP15 (0.54) ALDH1A1PARP15PARP10MAPTMEN1
SCHEMBL6701768 0.81 POLB (0.50) ALDH1A1KDM4EPARP15PARP10MAPT
SCHEMBL6698989 0.75 ACHE (0.46) ACHEHTR4ALDH1A1KDM4EHSD17B10
SCHEMBL2482136 0.73 NPC1 (0.50) ACHEHTR4ALDH1A1KDM4EHSD17B10
SCHEMBL7682170 0.73 NPC1 (0.50) ACHEHTR4ALDH1A1KDM4EHSD17B10
SCHEMBL6987389 0.73 ELANE (0.42) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL6705015 0.73 ACHE (0.46) ACHEHTR4ALDH1A1KDM4EHSD17B10
SCHEMBL27598410 0.73 PARP15 (0.40) ACHEHTR4ALDH1A1KDM4EHSD17B10
SCHEMBL2481231 0.72 NPC1 (0.48) ACHEHTR4ALDH1A1KDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
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