SCHEMBL8019097

SCHEMBL8019097

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GAA P10253 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
SCHEMBL22335210 0.86 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL838207 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8015395 0.82 MEN1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL25113190 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL35505 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19860763 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL12637244 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15448815 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL22767554 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL903004 0.78 ALDH1A1 (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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