SCHEMBL8772020

SCHEMBL8772020

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 4/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28463937 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3319888 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL9766460 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6574629 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL28577582 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL460924 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4909167 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1907643 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3315750 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL421304 0.78

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
CN-1334830-A Hydrophilic ampholytic polymer GOODRICH CO B F (US) 2002-02-06 CN claimed
CN-1334830-A Hydrophilic ampholytic polymer GOODRICH CO B F (US) 2002-02-06 CN disclosed
CN-1286680-A Poly (dialkylaminoalkyl (meth) acrylamide) -based superabsorbent gels AMCOL INTERNATIONAL CORP (US) 2001-03-07 CN disclosed
EP-0798372-A2 Detergent composition UNILEVER N.V. (NL) 1997-10-01 EP disclosed
EP-0652935-B1 DETERGENT COMPOSITION UNILEVER PLC (GB) 1997-09-17 EP disclosed
US-5597508-A Liquid detergent composition containing deflocculating polymer with ionic monomers LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-01-28 US disclosed
EP-0652935-A1 DETERGENT COMPOSITION. UNILEVER PLC (GB) 1995-05-17 EP disclosed
WO-1994003575-A1 DETERGENT COMPOSITION UNILEVER N.V. (NL) 1994-02-17 WO disclosed