SCHEMBL6937697

SCHEMBL6937697

CC1=C(C)C(=O)N(CCCC(=O)O)C1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
PKM P14618 1/20 0.77
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 4/20 0.48
PTGS2 P35354 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL6939675 0.92 ALDH1A1 (0.71) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL8890672 0.92 ALDH1A1 (0.71) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL8892091 0.87 ALDH1A1 (1.00) ALDH1A1PKMMEN1KMT2AHSD17B10
SCHEMBL26721030 0.81 ALDH1A1 (0.56) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL15975535 0.79 ALDH1A1 (0.56) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL14377618 0.79 ALDH1A1 (0.56) ALDH1A1PKMMEN1KMT2APTGS1
SCHEMBL23286082 0.79 MEN1 (0.51) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL15975537 0.77 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2APTGS1
SCHEMBL240018 0.77 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2APTGS1
SCHEMBL10703043 0.77 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016659-B1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK & CHEMICALS (JP) 2003-09-24 EP disclosed
US-6169186-B1 LIQUID CRYSTALS AND LIQUID CRYSTALLINE POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-01-02 US disclosed
EP-1016659-A1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-07-05 EP disclosed
WO-1997003962-A1 IMIDO PERESTERS AS INITIATORS OF POLYMERIZATION PROCESSES AKZO NOBEL N.V. (NL) 1997-02-06 WO disclosed