SCHEMBL6808422

SCHEMBL6808422

COCC(Br)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
PARP10 Q53GL7 1/20 0.55
SRD5A2 P31213 1/20 0.54
PLA2G4B P0C869 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
EGFR P00533 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC3 O15379 1/20 0.49

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
SCHEMBL11283688 0.88 MAOB (0.60) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL6812863 0.86 MAOB (0.61) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL27529019 0.85 NR4A1 (0.62) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL103047 0.83 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL3395533 0.83 NR4A1 (0.68) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL10799128 0.82 TSHR (0.44) NPC1RAB9AL3MBTL1ALDH1A1POLB
SCHEMBL11751543 0.80 NR4A2 (0.64) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL30285989 0.80 PARP10 (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL6816962 0.80 MAOB (0.69) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL514175 0.79 ALDH1A1 (0.58) PARP10SMN1; SMN2RAB9AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828513-B1 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER (US) 2004-01-21 EP disclosed
EP-0777652-B1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER (US) 2003-06-25 EP disclosed
US-6258827-B1 HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA PFIZER INC. 2001-07-10 US disclosed
US-6046213-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives PFIZER INC. (US) 2000-04-04 US disclosed