SCHEMBL13613403

SCHEMBL13613403

CC(C)C(=O)N(C)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CCR5 P51681 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
SCHEMBL19937237 0.83 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL11183229 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRNFKB1CYP2C19
SCHEMBL5072323 0.77 CYP2C9 (0.38) ALDH1A1ALOX15NFKB1
SCHEMBL11191482 0.75 ALDH1A1 (0.37) ALDH1A1ALOX15TSHRNFKB1CYP2C19
SCHEMBL11098534 0.75 HSD11B1 (0.38) ALDH1A1ALOX15DPP4
SCHEMBL10156042 0.74 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL8850098 0.74 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL12206755 0.73 CCR5 (0.36) DPP4DPP9CCR5
SCHEMBL16219008 0.72 DPP4 (0.47) ALDH1A1DPP4DPP9CCR5
SCHEMBL24315821 0.70 DPP4 (0.35) DPP4DPP9CCR5

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
US-20090312464-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-12-17 US disclosed
US-7332105-B2 Synergistic UV absorber combination CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
US-7169835-B2 Stabilizer mixture CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-30 US disclosed