SCHEMBL8052192

SCHEMBL8052192

C=C(C)C(=O)OC(C)NCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
EPHX1 P07099 8/20 0.40
LMNA P02545 2/20 0.39
FAAH O00519 4/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
CASP2 P42575 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9279513 1.00 TSHR (0.49) TSHREPHX1LMNAFAAHZDHHC20
SCHEMBL10610014 1.00 TSHR (0.49) TSHREPHX1LMNAFAAHZDHHC20
SCHEMBL29044528 1.00 TSHR (0.49) TSHREPHX1LMNAFAAHZDHHC20
Hydrochloric Acid SCHEMBL725775 0.98 TSHR (0.47) TSHREPHX1LMNAFAAHZDHHC20
Hydrochloric Acid SCHEMBL29131465 0.98 TSHR (0.47) TSHREPHX1LMNAFAAHZDHHC20
Iodide SCHEMBL28815267 0.98 TSHR (0.47) TSHREPHX1LMNAFAAHZDHHC20
Bromide SCHEMBL28897725 0.98 TSHR (0.47) TSHREPHX1LMNAFAAHZDHHC20
SCHEMBL9274701 0.98 TSHR (0.46) TSHREPHX1LMNAFAAHZDHHC20
Carbamic Acid SCHEMBL27513553 0.94 TSHR (0.44) TSHREPHX1LMNAFAAHZDHHC20
SCHEMBL331326 0.93 TSHR (0.43) TSHREPHX1LMNAFAAHALDH1A1

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
EP-0994911-A1 PROCESS FOR PRODUCING AN ADHERENT POLYMERIC LAYER ON POLYMERIC SUBSTRATES AND ARTICLES PRODUCED THEREBY PPG Industries Ohio, Inc. (US) 2000-04-26 EP disclosed
WO-1999000448-A1 PROCESS FOR PRODUCING AN ADHERENT POLYMERIC LAYER ON POLYMERIC SUBSTRATES AND ARTICLES PRODUCED THEREBY TRANSITIONS OPTICAL, INC. (US) 1999-01-07 WO disclosed
EP-0187137-B1 COLORED CONTACT LENSES AND METHOD FOR MAKING SAME SCHERING CORPORATION (US) 1990-07-11 EP disclosed
US-4668240-A COATING POLYMER LENS WITH COLORANT, BINDER POLYMER; ISOCYANATES, EPOXIDES SCHERING CORPORATION (US) 1987-05-26 US disclosed
EP-0187137-A2 Colored contact lenses and method for making same SCHERING CORPORATION (US) 1986-07-09 EP disclosed
US-4163092-A QUATERNIZED MONOMER, CROSS-LINKING AGENT PLASTOMEDICAL SCIENCES, INC. (US) 1979-07-31 US disclosed
US-4060678-A Cationic hydrogels based on hydroxyalkyl acrylates and methacrylates PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-29 US disclosed
US-4058491-A Cationic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-15 US disclosed