SCHEMBL9449271

SCHEMBL9449271

CC(C)CCC(Br)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
MDM2 Q00987 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 4/20 0.41

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
SCHEMBL23782492 0.86 PARP10 (0.46) NPC1RAB9AMAPK1SMN1; SMN2POLB
SCHEMBL4935875 0.83 SLC6A2 (0.53) NPC1RAB9AMAPTATMMAPK1
SCHEMBL7599592 0.83 PGR (0.49) NPC1RAB9AMAPTATMMAPK1
SCHEMBL2823791 0.83 SLC6A2 (0.53) NPC1RAB9AMAPTATMMAPK1
SCHEMBL5214256 0.81 GSK3B (0.47) NPC1RAB9AMAPTATMMAPK1
SCHEMBL648332 0.80 CES2 (0.47) NPC1RAB9AMAPTATMMAPK1
SCHEMBL9768627 0.79 MAPK1 (0.45) NPC1RAB9AMAPTATMMAPK1
SCHEMBL5711629 0.79 NPC1 (0.50) NPC1RAB9AMAPTATMMAPK1
SCHEMBL1248513 0.79 LCK (0.55) NPC1RAB9AMAPTATMMAPK1
SCHEMBL10793235 0.79 HPGD (0.44) NPC1RAB9AMAPTATMMAPK1

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-5250546-A Administering as therapy for spastic paralysis; glutamic acid blocking agent; agricultural chemicals NIPPON CHEMIPHAR CO., LTD. (JP) 1993-10-05 US disclosed
EP-0177245-B1 AMINO-ALCOHOL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-04-10 EP disclosed
EP-0177245-A2 Amino-alcohol derivatives and processes for their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1986-04-09 EP disclosed