SCHEMBL5838952

SCHEMBL5838952

C=C(C)C(=O)OCC(O)CO.CCC[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
DGKA P23743 1/20 0.37
THRB P10828 1/20 0.37
FAAH O00519 4/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.33

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
SCHEMBL5838352 0.86 TSHR (0.41) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL1398249 0.86 TSHR (0.41) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL1398234 0.86 TSHR (0.41) TSHRKDM4EDUSP3MEN1KMT2A
Propanol SCHEMBL27929363 0.85 TSHR (0.53) TSHRKDM4EDUSP3MEN1KMT2A
Propane SCHEMBL3677972 0.85 TSHR (0.57) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL29375450 0.85 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL25707 0.85 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL16863053 0.85 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
Methane SCHEMBL28897391 0.84 TSHR (0.59) TSHRKDM4EDUSP3MEN1KMT2A
Ethylene SCHEMBL27572484 0.84 TSHR (0.59) TSHRKDM4EDUSP3MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037954-B2 Ocular lens material MENICON CO., LTD. (JP) 2006-05-02 US disclosed
EP-1197782-B1 MATERIAL FOR OCULAR LENS MENICON CO LTD (JP) 2004-06-02 EP disclosed
US-20040039077-A1 Ocular lens material MENICON CO., LTD. 2004-02-26 US disclosed
US-6638991-B2 Lens material comprising a copolymer derived from a polysiloxane endcapped with acrylated urethane groups, a silicon-containing alkyl methacrylate, a hydrophilic monomer, and a crosslinking monomer; oxygen permeability, strength MENICON CO., LTD. (JP) 2003-10-28 US disclosed
US-20020198280-A1 Material for ocular lens MENICON CO., LTD. (JP) 2002-12-26 US disclosed
EP-1197782-A1 MATERIAL FOR OCULAR LENS MENICON CO., LTD. (JP) 2002-04-17 EP disclosed