SCHEMBL7915237

SCHEMBL7915237

CCC[C]1CCCCC1CCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
NOS1 P29475 5/20 0.38
NOS2 P35228 5/20 0.38
NOS3 P29474 3/20 0.38
BCHE P06276 2/20 0.33
SIGMAR1 Q99720 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL487370 0.87 NOS1 (0.41) CYP1A2NOS1NOS2NOS3
SCHEMBL487148 0.85 NOS1 (0.39) CYP1A2NOS1NOS2NOS3
SCHEMBL9625476 0.81 NOS1 (0.37) CYP1A2NOS1NOS2NOS3
SCHEMBL487299 0.79 NOS3 (0.37) NOS1NOS2NOS3
SCHEMBL1443655 0.77 CYP1A2 (0.47) CYP1A2NOS1NOS2NOS3BCHE
SCHEMBL8921496 0.76 CYP1A2 (0.45) CYP1A2NOS1NOS2NOS3BCHE
SCHEMBL9739568 0.75 CYP1A2 (0.48) CYP1A2NOS1NOS2BCHESIGMAR1
SCHEMBL1839528 0.74 NOS1 (0.42) CYP1A2NOS1NOS2NOS3
SCHEMBL487346 0.73 NOS1 (0.42) CYP1A2NOS1NOS2NOS3
SCHEMBL27525324 0.73 NOS1 (0.38) CYP1A2NOS1NOS2NOS3

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-6207625-B1 (A) SULFURIZED OXYMOLYBDENUM DITHIOCARBAMATE AT 0.03 TO 0.50 WT % AS MO, BASED ON THE WHOLE COMPOSITION, AND (B) ZINC DIALKYL DITHIOPHOSPHATE AT 0.04 TO 0.50 WT % AS P, ALSO BASED ON THE WHOLE COMPOSITION. TONEN CORPORATION (JP) 2001-03-27 US disclosed