SCHEMBL4637933

SCHEMBL4637933

C=CC(=O)NC(C)(C)C(C)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TGM2 P21980 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1702497 0.83 TSHR (0.38) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1001811 0.81 TSHR (0.36) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2724364 0.81 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8524798 0.80 TSHR (0.35) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18107148 0.79 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL8523447 0.79 TSHR (0.34) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2724739 0.78 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL174734 0.78 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8576089 0.77 TSHR (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL456586 0.77 TSHR (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541644-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2008-07-02 EP disclosed
US-7303614-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-20050150424-A1 Ink composition and inkjet recording method FUJI PHOTO FILM CO., LTD. 2005-07-14 US disclosed
EP-1541644-A1 Ink composition and inkjet recording method FUJI PHOTO FILM CO., LTD. (JP) 2005-06-15 EP disclosed
US-3992333-A NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER ROHM AND HAAS COMPANY (US) 1976-11-16 US disclosed