SCHEMBL8977546

SCHEMBL8977546

C=C(C)C(=O)OCCCN(C)c1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
MMP2 P08253 4/20 0.39
MMP3 P08254 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
CHRM3 P20309 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KMT2A Q03164 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL8977527 0.83 MMP2 (0.45) MMP2MMP3TDP1POLBAPEX1
SCHEMBL8631711 0.79 POLB (0.47) TDP1POLBAPEX1HTTCHRM3
SCHEMBL8977523 0.79 STAT3 (0.42) STAT3MMP2MMP3LTB4R2TSHR
SCHEMBL3317465 0.78 TSHR (0.43) TDP1POLBAPEX1HTTKMT2A
SCHEMBL29316150 0.74 POLB (0.58) MMP2MMP3TDP1POLBAPEX1
SCHEMBL14275377 0.74 POLB (0.61) MMP2MMP3TDP1POLBAPEX1
SCHEMBL2468868 0.73 HTT (0.64) MMP2MMP3TDP1POLBAPEX1
SCHEMBL29321879 0.73 TSHR (0.50) MMP2MMP3TDP1POLBAPEX1
SCHEMBL953146 0.73 HTT (0.64) MMP2MMP3TDP1POLBAPEX1
SCHEMBL1484039 0.72 POLB (0.48) TDP1POLBAPEX1HTTCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463931-B1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON CSF (FR) 1996-04-24 EP disclosed
EP-0463931-A1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON-CSF (FR) 1992-01-02 EP disclosed