SCHEMBL6356808

SCHEMBL6356808

N[SiH](N)OCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33

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
SCHEMBL3898460 0.76 NFE2L2 (0.43) SIGMAR1
SCHEMBL3893870 0.75 CYP1A2 (0.36) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL20550337 0.72 CTSL (0.32) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL28662552 0.71 CYP1A2 (0.38) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL7172540 0.71 CTSL (0.33) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL21422321 0.70 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL1715730 0.70 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL8376968 0.70
SCHEMBL1714780 0.70 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSLCTSB
SCHEMBL1703784 0.70

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-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed