SCHEMBL5178205

SCHEMBL5178205

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL4909167 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL10798243 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Phosphonic Acid SCHEMBL2559059 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8764635 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL460924 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13783655 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL21728872 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13687880 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8765395 0.75 TSHR (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8764497 0.75 ZDHHC20 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1393922-B1 Ink jet recording material AGFA GEVAERT (BE) 2007-06-06 EP disclosed
US-6924011-B2 Ink jet recording material AGFA GEVAERT (BE) 2005-08-02 US disclosed
US-20040043163-A1 Iink jet recording material AGFA-GEVAERT (BE) 2004-03-04 US disclosed
EP-1393922-A1 Improved ink jet recording material Agfa-Gevaert (BE) 2004-03-03 EP disclosed
EP-0762197-B1 Photographic recording material AGFA GEVAERT AG (DE) 2000-01-12 EP disclosed
US-5888719-A CONTINING A POLYMER; DARK DECAY STABILITY AGFA-GEVAERT AG (DE) 1999-03-30 US disclosed
US-5674668-A Photographic recording material AGFA-GEVAERT (DE) 1997-10-07 US disclosed
EP-0762197-A1 Photographic recording material Agfa-Gevaert AG (DE) 1997-03-12 EP disclosed
US-5518877-A POLYPEPTIDE-ADDITION POLYMER AGFA-GEVAERT AG (DE) 1996-05-21 US disclosed
EP-0666498-A2 Silver halide photographic material Agfa-Gevaert AG (DE) 1995-08-09 EP disclosed