SCHEMBL28819320

SCHEMBL28819320

C(=Cc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NFE2L2 Q16236 4/20 0.41
TRPA1 O75762 2/20 0.41
MAOB P27338 3/20 0.37
CYP19A1 P11511 2/20 0.37
MAOA P21397 2/20 0.37
RELA Q04206 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CHEK1 O14757 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL5572156 0.83 PELI1 (0.44) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL29713155 0.82 PELI1 (0.53) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL16738162 0.82 PELI1 (0.53) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL16738163 0.82 PELI1 (0.53) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL11061302 0.80 NFE2L2 (0.47) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL11061308 0.80 NFE2L2 (0.47) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL27726446 0.80 TTR (0.46) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL27763811 0.77 BACE1 (0.37) ALDH1A1HPGD
SCHEMBL28978122 0.76 BCL2L1 (0.42) PELI1PTPN1PTPN6NFE2L2TRPA1
SCHEMBL284707 0.76 NFE2L2 (0.47) PELI1PTPN1PTPN6NFE2L2TRPA1

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-114920882-A Polypropylene material with high thermal stability 宁夏永大石化有限公司 2022-08-19 CN disclosed