SCHEMBL367238

SCHEMBL367238

CC[Si](CCCNCCN)(OC)OC.CO[Si](OC)(OC)C(CNCCN)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
MMP2 P08253 3/20 0.35
GRIA1 P42261 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRND Q07001 1/20 0.33
CHRM2 P08172 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL37759 0.87 ALDH1A1 (0.38) MMP2SIGMAR1
SCHEMBL366500 0.86 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL447452 0.78 ALDH1A1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL339626 0.77 SIGMAR1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL16597964 0.76 TAAR1 (0.38) MMP2SIGMAR1
SCHEMBL819854 0.76 MMP2 (0.38) MMP2SIGMAR1
SCHEMBL1312060 0.74 CA12 (0.42) CHRM2
Heptane SCHEMBL28860811 0.74 CSNK1E (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL11658959 0.72 CA12 (0.46)
SCHEMBL11654315 0.70 CA12 (0.48) CHRM2

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
WO-2012008970-A1 HYDROPHOBIC COATING AND METHOD BRIGHAM YOUNG UNIVERSITY (US) 2012-01-19 WO claimed
US-20110159299-A1 HYDROPHOBIC COATING AND METHOD LINFORF MATTEW R 2011-06-30 US claimed