SCHEMBL4536271

SCHEMBL4536271

O[Si](O)(O)CNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
IDO1 P14902 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LTA4H P09960 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CTSD P07339 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL22911703 0.81 MAPT (0.44) ALDH1A1MAPTMAOAMAOBIDO1
SCHEMBL4536052 0.78 MAPT (0.41) ALDH1A1MAPTMAOAMAOBIDO1
SCHEMBL22911739 0.76 MAPT (0.44) ALDH1A1MAPTMAOAMAOBCA2
SCHEMBL268348 0.75 ALDH1A1 (0.48) ALDH1A1MAPTMAOAMAOBL3MBTL1
SCHEMBL6244058 0.73 MAPT (0.41) ALDH1A1MAPTMAOAMAOBIDO1
SCHEMBL20357498 0.73 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1RECQLMCL1
SCHEMBL28435110 0.71 MAPT (0.44) ALDH1A1MAPTMAOAMAOBL3MBTL1
SCHEMBL178138 0.70
Benzene SCHEMBL28332770 0.70 MAPT (0.43) ALDH1A1MAPTMAOAMAOBIDO1
SCHEMBL114143 0.70 MAPT (0.43) ALDH1A1MAPTMAOAMAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed