SCHEMBL8821085

SCHEMBL8821085

[CH2][n+]1ccc(C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HSD17B1 P14061 1/20 0.43
MAPK1 P28482 2/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
CA5A P35218 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
STS P08842 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
SCHEMBL30505 0.77 HPGD (0.46) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL9480700 0.77 TSHR (0.55) KMT2ASMN1; SMN2ALDH1A1CA5A
SCHEMBL1015846 0.75 KMT2A (0.53) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL12689688 0.75 MAPT (0.44) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL7291835 0.75 PARP1 (0.50) MAPTL3MBTL1KMT2AMAPK1NOS1
SCHEMBL16882497 0.75 NOS3 (0.45) MAPTHPGDRAB9ALMNAL3MBTL1
Bromide SCHEMBL145328 0.75 HPGD (0.44) MAPTHPGDRAB9ALMNAL3MBTL1
Hydrochloric Acid SCHEMBL152518 0.75 HPGD (0.44) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL19037386 0.75 KMT2A (0.50) MAPTHPGDRAB9ALMNAL3MBTL1
Iodide SCHEMBL10670645 0.75 APOBEC3A (0.46) MAPTHPGDRAB9ALMNAL3MBTL1

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
WO-1997042823-A1 USE OF ORGANOBORON COMPOUNDS AS ANTIFOULING AGENTS AMERICAN CYANAMID COMPANY (US) 1997-11-20 WO claimed