SCHEMBL29196706

SCHEMBL29196706

Cc1c(C2CCCCC2)cc(C2CCCCC2)c(C)c1Cn1c(=O)n(Cc2c(C)c(C3CCCCC3)cc(C3CCCCC3)c2C)c(=O)n(Cc2c(C)c(C3CCCCC3)cc(C3CCCCC3)c2C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
KDM4B O94953 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
DOHH Q9BU89 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 2/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX12 P18054 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
SCHEMBL10565334 0.73 PDE5A (0.39) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL77906 0.72 NUDT1 (0.42) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10564840 0.72 PDE5A (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10566115 0.72 PDE5A (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10566223 0.72 PDE5A (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10563172 0.72 PDE5A (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10399131 0.69 NUDT1 (0.60) NUDT1BACE1GRM2
SCHEMBL11318649 0.68 KDM4E (0.37) PTGDR2KDM4ETP53SMN1; SMN2HIF1A
SCHEMBL9764226 0.67 ALDH1A1 (0.49) ALDH1A1KDM4ELMNATP53CYP1A2
SCHEMBL10567861 0.66 ALDH1A1 (0.51) ALDH1A1KDM4ELMNATP53CYP1A2

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-117413025-A Phosphite compositions 住友化学株式会社 2024-01-16 CN disclosed