SCHEMBL361331

SCHEMBL361331

CCO[Si](CC)(CCCN1CCN(C)CC1)OCC.CCO[Si](CCCN1CCN(C)CC1)(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CSNK2A3 Q8NEV1 2/20 0.33
PAOX Q6QHF9 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DRD3 P35462 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL497398 0.94 PAOX (0.36) CSNK2A2CSNK2BCSNK2A1CSNK2A3PAOX
SCHEMBL329695 0.90 PAOX (0.38) CSNK2A2CSNK2BCSNK2A1CSNK2A3PAOX
SCHEMBL8758990 0.85 GNAI3 (0.35) ALDH1A1HRH3
SCHEMBL10601364 0.85 GNAI3 (0.35) ALDH1A1HRH3
SCHEMBL11897216 0.82
SCHEMBL21111287 0.80 GNAI3 (0.31)
SCHEMBL614544 0.80 HRH3 (0.43) ALDH1A1HRH3
SCHEMBL14595590 0.80
SCHEMBL1458452 0.80 HRH3 (0.43) ALDH1A1HRH3
SCHEMBL14226953 0.80 ALDH1A1 (0.38) ALDH1A1RAB9A

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
EP-2407507-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR Corporation (JP) 2012-01-18 EP disclosed