SCHEMBL6300702

SCHEMBL6300702

CC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)N(CC(=O)O)CC(=O)O)CC(C)(C)N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
EZH2 Q15910 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL38880 0.79
SCHEMBL39116 0.71 GAA (0.36) GAAHTTKDM4EKMT2AALOX15
SCHEMBL452307 0.71 GAA (0.39) GAAHTTKDM4EKMT2AALOX15
SCHEMBL9281899 0.70 ALOX15 (0.40) GAAHTTKDM4EKMT2AALOX15
SCHEMBL10744972 0.70 ALOX15 (0.43) GAAHTTKDM4EKMT2AALOX15
Nitrilotriacetic Acid SCHEMBL986503 0.69 TDP1 (0.37) GAAHTTKDM4EKMT2AALOX15
SCHEMBL313717 0.69 GAA (0.37) GAAHTTKDM4EKMT2AEZH2
Acetic Acid SCHEMBL16713425 0.68 GAA (0.38) GAAHTTKDM4EKMT2AEZH2
SCHEMBL11592045 0.67 GAA (0.36) GAAHTTKDM4EKMT2AALOX15
SCHEMBL8979629 0.67 GAA (0.35) GAAHTTKDM4EKMT2AEZH2

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-6843939-B2 UV stabilizing additive composition CYTEC TECHNOLOGY CORP. (US) 2005-01-18 US claimed