SCHEMBL28647481

SCHEMBL28647481

CC(C)(C)c1cccc(C(C)(C)C)c1-c1cc(-c2c(C(C)(C)C)cccc2C(C)(C)C)c(-c2c(C(C)(C)C)cccc2C(C)(C)C)c(-c2c(C(C)(C)C)cccc2C(C)(C)C)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KIF11 P52732 1/20 0.32
PLK1 P53350 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31

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
SCHEMBL28650082 0.95 PTPN5 (0.38) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL28534330 0.87 GABRA1 (0.40) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL27908557 0.77 CA2 (0.41) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL27781320 0.77 CA2 (0.41) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL27908556 0.77 CA2 (0.44) PTPN5CA2ALDH1A1TSHRTDP1
Hydrogen Sulfide SCHEMBL27603612 0.76 CA2 (0.40) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL29496709 0.74 CA2 (0.34) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL4572747 0.74 CA2 (0.39) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL28607701 0.74 ALDH1A1 (0.52) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL29235924 0.73 GABRA1 (0.50) PTPN5CA2ALDH1A1TSHRTDP1

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-113518799-A Polycarbonate resin composition 帝人株式会社 2021-10-19 CN disclosed