SCHEMBL9065002

SCHEMBL9065002

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9064999 1.00 EPHX1 (0.34) EPHX1CYP2C9MEN1CYP1A2CYP2C19
SCHEMBL9065004 0.80 HTT (0.40) EPHX1CYP2C9MEN1CYP1A2CYP2C19
SCHEMBL15255475 0.80 HTT (0.40) EPHX1CYP2C9MEN1CYP1A2CYP2C19
SCHEMBL6749593 0.77 EPHX1 (0.39) EPHX1CYP2C9MEN1CYP1A2CYP2C19
SCHEMBL6749586 0.77 EPHX1 (0.39) EPHX1CYP2C9MEN1CYP1A2CYP2C19
SCHEMBL5176639 0.75 POLB (0.34) ALOX15POLB
SCHEMBL5176643 0.75 POLB (0.34) ALOX15POLB
SCHEMBL24637748 0.71 EPHX1 (0.35) EPHX1CYP2C9MEN1CYP1A2CYP2C19
Acrylamide SCHEMBL21485100 0.71 ALDH1A1 (0.44) EPHX1ALDH1A1TSHRKDM4ERAB9A
SCHEMBL6289243 0.71 EPHX1 (0.37) EPHX1CYP2C9MEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523360-A IMPROVES MELT-FLOW PROPERTIES AKZO NOBEL N. V. (NL) 1996-06-04 US disclosed
EP-0648240-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS Akzo Nobel N.V. (NL) 1995-04-19 EP disclosed
WO-1994001485-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS AKZO NOBEL N.V. (NL) 1994-01-20 WO disclosed