SCHEMBL7932440

SCHEMBL7932440

C=CC(=O)NC(C)(C)C(=O)Oc1cccc(C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 5/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAF1 P04049 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL7759551 0.81 MAOB (0.42) ELANEKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL7761136 0.79 ELANE (0.73) ELANEALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11758974 0.77 ELANE (0.54) ELANEKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL3141164 0.74 LMNA (0.63) ELANEKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL30239922 0.74 LMNA (0.63) ELANEKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL21357271 0.74 CYP1A2 (0.56) KMT2AMEN1CYP1A2ALDH1A1NPC1
SCHEMBL8589792 0.72 ELANE (0.64) ELANEALDH1A1RAB9ACYP3A4MAPK1
SCHEMBL16954924 0.70 LMNA (0.54) ELANEKMT2AMEN1ALDH1A1NPC1
SCHEMBL26802232 0.70 NPC1 (0.56) KMT2AMEN1CYP1A2ALDH1A1NPC1
SCHEMBL803825 0.70 KMT2A (0.53) KMT2AMEN1CYP1A2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245922-B1 PREPARED BY REACTING AN ELECTROPHILIC 2-ALKENYL AZALACTONE WITH A NUCLEOPHILIC AROMATIC KETONE; CAN BE COPOLYMERIZED WITH ACRYLIC MONOMERS AND PHOTOACTIVATED BY ACTINIC RADIATION TO CROSSLINK THE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2001-06-12 US disclosed
EP-0837844-B1 ACRYLAMIDE DERIVATIVES AS CHROMOPHORIC PHOTOCROSSLINKING COMPOUND MINNESOTA MINING & MFG (US) 2000-04-05 EP disclosed