SCHEMBL6939675

SCHEMBL6939675

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
PKM P14618 1/20 0.71
PTGS1 P23219 4/20 0.59
PTGS2 P35354 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 5/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
GPR84 Q9NQS5 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
TLR2 O60603 2/20 0.43

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
SCHEMBL8890672 1.00 ALDH1A1 (0.71) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL6937697 0.92 ALDH1A1 (0.77) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL26721030 0.88 ALDH1A1 (0.56) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL8892091 0.84 ALDH1A1 (1.00) ALDH1A1PKMPTGS1PTGS2MEN1
SCHEMBL240018 0.83 ALDH1A1 (0.54) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL10703043 0.83 ALDH1A1 (0.54) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL15975537 0.83 ALDH1A1 (0.54) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL11511517 0.83 ALDH1A1 (0.53) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL14377618 0.81 ALDH1A1 (0.56) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2
SCHEMBL19281001 0.81 PTGS1 (0.59) ALDH1A1PKMPTGS1PTGS2SMN1; SMN2

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
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