SCHEMBL4436282

SCHEMBL4436282

CO[Si](CCCCCCCCCCCNCCN)(OC)OC.CO[Si](CCCOc1cccc(N)c1)(OC)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 2/20 0.40
GAA P10253 1/20 0.38
CARM1 Q86X55 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
SCHEMBL30781624 0.86 TSHR (0.59) TSHRMAPK1ALDH1A1CYP3A4TP53
SCHEMBL109946 0.86 TSHR (0.59) TSHRMAPK1ALDH1A1CYP3A4TP53
SCHEMBL5155637 0.82 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4TP53
SCHEMBL6567041 0.77 TSHR (0.49) TSHRMAPK1ALDH1A1KDM4EKMT2A
SCHEMBL28797445 0.76 CA12 (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL21523567 0.76 CA12 (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL28609728 0.76 CA12 (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL8752912 0.76 CA12 (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL134809 0.76 CA12 (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL9305781 0.76 CA12 (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E

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
EP-2121273-A1 ACID-CATALYZED DIELECTRIC ENHANCEMENT FLUID AND CABLE RESTORATION METHOD EMPLOYING SAME Novinium, Inc. (US) 2009-11-25 EP disclosed
WO-2008091431-A1 ACID-CATALYZED DIELECTRIC ENHANCEMENT FLUID AND CABLE RESTORATION METHOD EMPLOYING SAME NOVINIUM, INC. (US) 2008-07-31 WO disclosed