SCHEMBL20000027

SCHEMBL20000027

C[Si](C)(CCCO)O[Si](C)(C)O[Si](O[Si](C)(C)CCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MGAM O43451 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL20000013 0.94 NR1H2 (0.35) NR1H2NR1H3MGAMESR1ESR2
SCHEMBL12546022 0.92 NR1H2 (0.34) NR1H2NR1H3MGAMESR1ESR2
SCHEMBL31412255 0.88
SCHEMBL31348329 0.88
SCHEMBL20000028 0.87 KCNH3 (0.34)
SCHEMBL20000025 0.86
SCHEMBL20000034 0.84 HDAC3 (0.32)
SCHEMBL676715 0.84 MAOA (0.31)
SCHEMBL20000023 0.84 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL31348371 0.83 GABRA1 (0.31)

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
US-20180086874-A1 SILICONE-MODIFIED POLYURETHANE-BASED FIBER AND METHOD FOR MANUFACTURING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed