SCHEMBL8828002

SCHEMBL8828002

CON=C(Cc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 1/20 0.61
PKM P14618 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
APEX1 P27695 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MGLL Q99685 1/20 0.49
LTA4H P09960 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL8057053 0.94 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EPKML3MBTL1THRB
SCHEMBL8067402 0.86 MEN1 (0.65) SMN1; SMN2KDM4EPKML3MBTL1TDP1
SCHEMBL4216595 0.85 SMN1; SMN2 (0.84) SMN1; SMN2KDM4EPKML3MBTL1THRB
SCHEMBL4216593 0.85 SMN1; SMN2 (0.84) SMN1; SMN2KDM4EPKML3MBTL1THRB
SCHEMBL13324527 0.85 FNTA (0.44) SMN1; SMN2KDM4EPKML3MBTL1THRB
SCHEMBL22867625 0.85 L3MBTL1 (0.53) SMN1; SMN2KDM4EPKML3MBTL1ALDH1A1
SCHEMBL3281923 0.85 FNTA (0.44) SMN1; SMN2KDM4EPKML3MBTL1THRB
SCHEMBL8071046 0.85 L3MBTL1 (0.53) SMN1; SMN2KDM4EPKML3MBTL1ALDH1A1
SCHEMBL13359281 0.85 FNTA (0.44) SMN1; SMN2KDM4EPKML3MBTL1THRB
SCHEMBL8056905 0.84 KDM4E (0.62) SMN1; SMN2KDM4EPKML3MBTL1ALDH1A1

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-5688789-A TREATMENT OR PREVENTION OF NEURONAL LOSS IN ISCHEMIA, HYPOXIA, BRAIN OR SPINAL CORD TRAUMA, TREATMENT OF ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE, DOWN'S SYNDROME STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-11-18 US disclosed