SCHEMBL16088296

SCHEMBL16088296

C=COC(=O)OCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 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
SCHEMBL47743 1.00 TSHR (0.34) TSHRALDH1A1CYP3A4HPGD
SCHEMBL12398554 0.99 TSHR (0.35) TSHRALDH1A1CYP3A4HPGD
SCHEMBL2608074 0.94 TSHR (0.34) TSHRALDH1A1CYP3A4HPGD
SCHEMBL15355895 0.93 ALDH1A1 (0.32) TSHRALDH1A1CYP3A4
SCHEMBL14513850 0.93 TSHR (0.37) TSHRALDH1A1CYP3A4HPGD
SCHEMBL15355894 0.92 TSHR (0.33) TSHRALDH1A1CYP3A4HPGD
SCHEMBL12585804 0.90 ALDH1A1 (0.30) TSHRALDH1A1CYP3A4
SCHEMBL12891632 0.90 ALDH1A1 (0.30) TSHRALDH1A1CYP3A4
SCHEMBL13789040 0.89 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4
SCHEMBL35484 0.88 TSHR (0.36) TSHRALDH1A1CYP3A4HPGD

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-20140268028-A1 SILICONE-CONTAINING CONTACT LENS HAVING CLAY TREATMENT APPLIED THERETO JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-09-18 US disclosed