SCHEMBL8977527

SCHEMBL8977527

C=C(C)C(=O)OCCCN(C)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.45
MMP3 P08254 6/20 0.45
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
TSHR P16473 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL5329953 0.85 CHRNB2 (0.40) MMP2MMP3POLBAPEX1HTT
SCHEMBL5329956 0.85 CHRNB2 (0.40) MMP2MMP3POLBAPEX1HTT
SCHEMBL8977546 0.83 STAT3 (0.43) MMP2MMP3POLBAPEX1HTT
SCHEMBL29316150 0.81 POLB (0.58) MMP2MMP3POLBAPEX1HTT
SCHEMBL14275377 0.81 POLB (0.61) MMP2MMP3POLBAPEX1HTT
SCHEMBL2468868 0.80 HTT (0.64) MMP2MMP3POLBAPEX1HTT
SCHEMBL29321879 0.80 TSHR (0.50) MMP2MMP3POLBAPEX1HTT
SCHEMBL953146 0.80 HTT (0.64) MMP2MMP3POLBAPEX1HTT
SCHEMBL1484039 0.79 POLB (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL9471186 0.79 TSHR (0.52) MMP2MMP3POLBAPEX1HTT

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 1 patent. 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 claimed