SCHEMBL28960445

SCHEMBL28960445

CC(C)CCc1cc(CCC(C)C)c(C(=O)O)c(CCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GPR35 Q9HC97 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPK1 P28482 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
SCHEMBL20773107 0.80 GRIN2D (0.39) ALOX5NFKB1NFKB2RELAGRIN2D
SCHEMBL27782240 0.77 GRIN2D (0.49) ALOX5NFKB1NFKB2RELAGRIN2D
SCHEMBL27904849 0.76 GRIN2D (0.49) ALOX5NFKB1NFKB2RELAGRIN2D
SCHEMBL27904834 0.76 GRIN2D (0.49) ALOX5NFKB1NFKB2RELAGRIN2D
SCHEMBL8148872 0.75 GABRA1 (0.50) ALOX5NFKB1FABP3FABP4PTGS2
SCHEMBL9338483 0.74 FOLH1 (0.49) ALDH1A1
SCHEMBL1108967 0.74 L3MBTL1 (0.42) GABRA1GABRB2
SCHEMBL1956168 0.73 FABP3 (0.42) ALOX5NFKB1NFKB2RELATHRA
SCHEMBL27760660 0.71 ALDH1A1 (0.56) ALOX5NFKB1NFKB2RELAGRIN2D
SCHEMBL442094 0.70 FOLH1 (0.59) TSHRALDH1A1

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-111057169-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2023-02-28 CN disclosed