SCHEMBL9065004

SCHEMBL9065004

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.37
PARP1 P09874 1/20 0.36
EPHX1 P07099 1/20 0.35
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
POLB P06746 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
SCHEMBL15255475 1.00 HTT (0.40) HTTALDH1A1PARP1EPHX1CYP2C9
SCHEMBL9064999 0.80 EPHX1 (0.34) ALDH1A1EPHX1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL9065002 0.80 EPHX1 (0.34) ALDH1A1EPHX1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL6749586 0.78 EPHX1 (0.39) ALDH1A1EPHX1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL6749593 0.78 EPHX1 (0.39) ALDH1A1EPHX1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL2429606 0.76 EPHX1 (0.38) EPHX1MEN1KMT2AKDM4EALOX15
SCHEMBL15255473 0.73 HTT (0.43) HTTALDH1A1PARP1CYP1A2CYP2C19
SCHEMBL5176644 0.73 HTT (0.43) HTTALDH1A1PARP1CYP1A2CYP2C19
SCHEMBL12120877 0.73 HTT (0.43) HTTALDH1A1PARP1CYP1A2CYP2C19
SCHEMBL24637748 0.73 EPHX1 (0.35) EPHX1CYP2C9SMN1; SMN2CYP1A2CYP2C19

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