SCHEMBL29076901

SCHEMBL29076901

C=C(C#N)CC=Cc1ccccc1.C=CC(=O)OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.51
PAM P19021 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL28600281 0.83 MGLL (0.49) MGLLPAMALDH1A1MAOB
SCHEMBL29076884 0.82 MGLL (0.53) MGLLTHRB
Styrene SCHEMBL670007 0.80 MGLL (0.56) MGLLTDP1THRB
Acrylonitrile SCHEMBL7636399 0.79 MGLL (0.41) MGLLPAMALDH1A1MAPTRECQL
SCHEMBL7161698 0.78 MGLL (0.56) MGLLTHRB
SCHEMBL908295 0.78 MGLL (0.52) MGLLPAMALDH1A1MAOB
Styrene SCHEMBL27559303 0.78 MGLL (0.54) MGLLTDP1THRB
SCHEMBL908016 0.77 MGLL (0.43) MGLLPAMALDH1A1MAPTTDP1
SCHEMBL6585512 0.77 PAM (0.53) PAMALDH1A1MAPTRECQLSMN1; SMN2
Benzene SCHEMBL1565370 0.77 MGLL (0.52) MGLLALDH1A1THRB

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
CN-116769285-A Polyester elastomer/styrene elastomer compound and preparation and application thereof 金发科技股份有限公司 2023-09-19 CN claimed