SCHEMBL29073846

SCHEMBL29073846

CC(C)c1cc(C(C)C)c(-c2ccccc2C2CCCCC2)c(C(C)C)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.41
▸ ROCK2 O75116 1/20 0.38
▸ PTPN5 P54829 4/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 2/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPRF P10586 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ GCGR P47871 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ PTGDR2 Q9Y5Y4 3/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 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
SCHEMBL17930294 0.79 ROCK2 (0.48) ROCK2
SCHEMBL31152065 0.79 ROCK2 (0.48) ROCK2
SCHEMBL29073845 0.79 ROCK2 (0.50) PTGS2ROCK2PTPN5PTPN2PTPN1
SCHEMBL30605076 0.77 ABCB1 (0.39) GCGR
SCHEMBL28304715 0.76 ROCK2 (0.46) ROCK2
SCHEMBL20262372 0.76 ROCK2 (0.33) ROCK2
SCHEMBL20262375 0.76 ROCK2 (0.45) ROCK2
SCHEMBL2712354 0.74 ROCK2 (0.39) ROCK2
SCHEMBL17924585 0.74 HPGD (0.44) PTPN5GCGRBRD4
SCHEMBL30576990 0.73 POLB (0.36) ROCK2PTPN1PTPRCPTPRFCDC25B

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-116554039-B Organic light-emitting auxiliary material and preparation method and application thereof 吉林奥来德光电材料股份有限公司 2023-09-19 — — CN disclosed
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