SCHEMBL28045653

SCHEMBL28045653

CC(C)(C)c1cccc(C(C)(C)C)c1-n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.46
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KIF11 P52732 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL26259672 0.82 CA2 (0.33) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL11168331 0.76 ALDH1A1 (0.42) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL26259654 0.76 ALDH1A1 (0.34) CA2ALDH1A1KIF11MAPTKDM4E
SCHEMBL1754322 0.74 GAA (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL26259345 0.74 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MAPTKDM4E
SCHEMBL30924834 0.69 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4218520 0.69 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4219251 0.68 RBP4 (0.45) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1156306 0.68 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1156307 0.68 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 — — CN claimed
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 — — CN disclosed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 — — CN disclosed
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