SCHEMBL22229596

SCHEMBL22229596

CCO[Si](CCCCC(N)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR4 O95977 4/20 0.32
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31

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
SCHEMBL4429051 0.93 OPRM1 (0.31) OPRM1ALDH1A1
SCHEMBL11189454 0.91 CPB2 (0.33) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL11197181 0.91 ALDH1A1 (0.33) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28779131 0.91 ALDH1A1 (0.33) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL11176486 0.90 OPRM1 (0.31) OPRM1
SCHEMBL3920242 0.89
SCHEMBL11170195 0.88 PLA2G1B (0.32) OPRM1ALDH1A1PLA2G1BPLA2G2A
SCHEMBL2558841 0.88 ALDH1A1 (0.39) OPRM1ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3141099 0.87 OPRM1 (0.50) OPRM1ALDH1A1
SCHEMBL28898791 0.86 OPRM1 (0.45) OPRM1ALDH1A1S1PR2S1PR1S1PR3

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-2022215759-A2 SILOXANE POLYMER COMPOSITION, CURED PRODUCT, ELECTRONIC COMPONENT, OPTICAL COMPONENT, AND COMPOSITE MEMBER JNC株式会社 2022-10-13 WO disclosed
US-20200231810-A1 ELASTOMERIC COMPOSITIONS AND THEIR APPLICATIONS DOW SILICONES BELGIUM S.P.R.L. (BE) 2020-07-23 US disclosed