SCHEMBL5154699

SCHEMBL5154699

CCO[Si](CCC(N)CCCCCN)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.36
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DNM1 Q05193 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32
S1PR2 O95136 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR4 O95977 1/20 0.32

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
SCHEMBL21409629 1.00 CPB2 (0.36) CPB2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL5614283 0.93
SCHEMBL11189454 0.89 CPB2 (0.33) CPB2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL29116551 0.87 OPRM1 (0.43) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28209084 0.87 OPRM1 (0.43) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28779131 0.86 ALDH1A1 (0.33) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL11197181 0.86 ALDH1A1 (0.33) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28898791 0.85 OPRM1 (0.45) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL3920242 0.85
SCHEMBL417868 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176269-B2 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2007-02-13 US disclosed
EP-1304354-B1 CURABLE COMPOSITION AND USES THEREOF MITSUI CHEMICALS INC (JP) 2007-01-24 EP disclosed
US-20030096904-A1 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2003-05-22 US disclosed
EP-1304354-A1 CURABLE COMPOSITION AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2003-04-23 EP disclosed