SCHEMBL8439731

SCHEMBL8439731

CC1=CC(=O)N(c2cc(C)ccc2O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TRPA1 O75762 1/20 0.39
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CSNK2A1 P68400 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DAO P14920 2/20 0.36
DDO Q99489 1/20 0.36
TYMS P04818 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
AADAT Q8N5Z0 1/20 0.35

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
SCHEMBL3679429 0.77 CCR6 (0.36) LMNA
SCHEMBL12339794 0.76 LMNA (0.44) LMNANPC1RAB9ATRPA1TP53
SCHEMBL7193393 0.72 TLR9 (0.48) MEN1MAPTKMT2A
SCHEMBL3684376 0.72 HPGD (0.34) TP53TDP1ALDH1A1MAPTHPGD
SCHEMBL24939682 0.72 MYC (0.55) TDP1HSD17B10ALOX15GAAMAPT
SCHEMBL8142750 0.71 MGLL (0.57) LMNANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL28481292 0.71 XPO1 (0.32)
SCHEMBL3679861 0.69 MGLL (0.38) HSD17B10ALDH1A1MEN1MAPTHPGD
SCHEMBL14081569 0.69 TSHR (0.51) TDP1ALDH1A1MEN1GAAKMT2A
SCHEMBL8884854 0.68 CCR6 (0.35) LMNANPC1RAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495544-B1 Process for the synthesis of citraconimides AKZO NOBEL NV (NL) 1999-04-07 EP disclosed
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
EP-0495545-B1 Citraconimide (co)polymers and curing with anionic catalyst AKZO NOBEL NV (NL) 1994-12-28 EP disclosed
WO-1994001485-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS AKZO NOBEL N.V. (NL) 1994-01-20 WO disclosed
US-5221717-A CITRACONIMIDE (CO)POLYMERS AND CURING WITH ANIONIC CATALYST AKZO N.V. (NL) 1993-06-22 US disclosed
EP-0495545-A1 Citraconimide (co)polymers and curing with anionic catalyst Akzo Nobel N.V. (NL) 1992-07-22 EP disclosed