SCHEMBL6881287

SCHEMBL6881287

CC(NC(=O)CCC(C)(C)O)c1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ROCK1 Q13464 8/20 0.42
ROCK2 O75116 8/20 0.42
PRKG1 Q13976 5/20 0.40
PRKACA P17612 4/20 0.40
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
PRKX P51817 3/20 0.40
RPS6KB1 P23443 2/20 0.40
CDK2 P24941 2/20 0.40
AKT2 P31751 2/20 0.40
IRAK1 P51617 2/20 0.40
CDK5 Q00535 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKG2 Q13237 2/20 0.40
PKN2 Q16513 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
HIPK4 Q8NE63 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL6879525 0.88 MEN1 (0.47) MEN1KMT2AROCK1ROCK2PRKG1
SCHEMBL6155723 0.76 CYSLTR2 (0.40) SMN1; SMN2
SCHEMBL6881282 0.76 POLB (0.43) POLBALDH1A1HPGD
SCHEMBL25846583 0.75 KCNK2 (0.48) MEN1KMT2AROCK1ROCK2PRKG1
SCHEMBL21288068 0.75 KCNK2 (0.48) MEN1KMT2AROCK1ROCK2PRKG1
SCHEMBL6879721 0.75 ACACA (0.48) KMT2AROCK1ROCK2CYP2C9CYP3A4
SCHEMBL22970326 0.74 GPR139 (0.58) MEN1KMT2AMAPK1GPR139POLB
SCHEMBL21295101 0.74 GPR139 (0.58) MEN1KMT2AMAPK1GPR139POLB
SCHEMBL6156238 0.74 CYSLTR2 (0.54) LMNASMN1; SMN2ALDH1A1
SCHEMBL24628720 0.73 PTGS1 (0.50) MEN1KMT2ACYP2D6HPGD

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
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed