SCHEMBL8576089

SCHEMBL8576089

C=CC(=O)NC(C)(C)C(C)CS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TGM2 P21980 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29192563 0.83 TSHR (0.39) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL137801 0.82 TSHR (0.45) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29192600 0.81 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30357050 0.80 TSHR (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21728873 0.79 TSHR (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4637933 0.77 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27512565 0.77 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7625494 0.75 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28723020 0.75 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19490 0.75 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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-5787686-A CONTAINING WATER INSOLUBLE AGRICULTURE PESTICIDE THE DOW CHEMICAL COMPANY (US) 1998-08-04 US disclosed
US-5753766-A Amphipathic graft copolymers and copolymer compositions and methods of making THE DOW CHEMICAL COMPANY (US) 1998-05-19 US disclosed
US-5753248-A Amphipathic graft copolymer pesticide formulation compositions and methods of their use THE DOW CHEMICAL COMPANY (US) 1998-05-19 US disclosed
EP-0766705-B1 PREPARATION OF AMPHIPATHIC GRAFT COPOLYMERS, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE DOW CHEMICAL CO (US) 1998-05-13 EP disclosed
US-5693716-A Amphipathic graft copolymers and copolymer compositions and methods of making THE DOW CHEMICAL COMPANY (US) 1997-12-02 US disclosed
CN-1159199-A Novel amphipathic graft copolymers, their prepn., compositions thereof and methods of their use DOW CHEMICAL CO (US) 1997-09-10 CN disclosed
EP-0766705-A1 PREPARATION OF AMPHIPATHIC GRAFT COPOLYMERS, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE THE DOW CHEMICAL COMPANY (US) 1997-04-09 EP disclosed
WO-1996000251-A1 NOVEL AMPHIPATHIC GRAFT COPOLYMERS, THEIR PREPARATION, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE THE DOW CHEMICAL COMPANY (US) 1996-01-04 WO disclosed