SCHEMBL6699183

SCHEMBL6699183

COc1ccc(C(=O)C(Br)CC2CCCCC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.54
PARP10 Q53GL7 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.44
KDM2B Q8NHM5 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL6701768 0.90 POLB (0.50) PARP15PARP10NPC1RAB9AHIF1A
SCHEMBL6704355 0.81 ACHE (0.44) PARP15PARP10NPC1RAB9AMEN1
SCHEMBL1303034 0.81 POLB (0.50) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL10917653 0.78 NPC1 (0.51) NPC1RAB9AHIF1AMEN1KMT2A
SCHEMBL6702788 0.76 ACHE (0.62) PARP15PARP10NPC1RAB9AMEN1
SCHEMBL1922400 0.74 NPC1 (0.57) NPC1RAB9AHIF1AMEN1KMT2A
SCHEMBL7688139 0.74 NPC1 (0.67) PARP15PARP10NPC1RAB9AMEN1
SCHEMBL8561688 0.73 MEN1 (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL27914482 0.71 NPC1 (0.57) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5996677 0.71 MEN1 (0.51) PARP15PARP10NPC1RAB9AHIF1A

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 1 patent. 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