SCHEMBL410889

SCHEMBL410889

C=C(C)C(=O)OCCOC(=O)NCC1(C)CC(C)CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16072842 0.90 TSHR (0.40) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL18776183 0.87 TSHR (0.51) TSHREPHX1
SCHEMBL25993934 0.85 TSHR (0.63) TSHRTHRBALDH1A1MAPTMEN1
SCHEMBL11900914 0.85 TSHR (0.63) TSHRTHRBALDH1A1MAPTMEN1
SCHEMBL18495390 0.85 TSHR (0.53) TSHRTHRBALDH1A1MAPTMEN1
SCHEMBL20365713 0.85 TSHR (0.40) TSHRALDH1A1
SCHEMBL18323042 0.84 TSHR (0.58) TSHRTHRBALDH1A1MAPTEPHX1
SCHEMBL13103468 0.83 TSHR (0.43) TSHRTHRBALDH1A1MAPT
SCHEMBL26743324 0.83 TSHR (0.57) TSHRTHRBALDH1A1MAPTEPHX1
SCHEMBL12462194 0.83 TSHR (0.51) TSHRALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9086528-B2 Material for contact lenses, method for manufacturing contact lenses and contact lenses obtained thereby BENQ MATERIALS CORPORATION (TW) 2015-07-21 US disclosed
US-20150111983-A1 MATERIAL FOR CONTACT LENSES, METHOD FOR MANUFACTURING CONTACT LENSES AND CONTACT LENSES OBTAINED THEREBY BENQ MATERIALS CORPORATION (TW) 2015-04-23 US disclosed
US-8952080-B2 Material for contact lenses, method for manufacturing contact lenses and contact lenses obtained thereby BENQ MATERIALS CORPORATION (TW) 2015-02-10 US disclosed
US-20140221523-A1 MATERIAL FOR CONTACT LENSES, METHOD FOR MANUFACTURING CONTACT LENSES AND CONTACT LENSES OBTAINED THEREBY BENQ MATERIALS CORPORATION (TW) 2014-08-07 US disclosed
US-8637589-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-01-28 US disclosed
US-8399539-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-03-19 US disclosed
US-20120065348-A1 SOLUBLE SILICONE PREPOLYMERS TORAY INDUSTRIES, INC. (JP) 2012-03-15 US disclosed
US-20110077322-A1 Silicone Prepolymer Solutions TORAY INDUSTRIES, INC. (JP) 2011-03-31 US disclosed