SCHEMBL14586751

SCHEMBL14586751

CC(C)Cc1cc(CC(=O)NNC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
HSPA5 P11021 1/20 0.43
KMT2A Q03164 3/20 0.42
HMGCR P04035 2/20 0.42
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2D6 P10635 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8756199 0.87 GAA (0.59) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL14586752 0.85 GAA (0.57) GAAKMT2AALDH1A1TSHRCYP1A2
SCHEMBL14586753 0.80 GAA (0.51) GAAKMT2AALDH1A1TSHRCYP1A2
SCHEMBL15142812 0.79 HSPA5 (0.57) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL12894651 0.79 GAA (0.52) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL12443050 0.78 HSPA5 (0.51) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL17433310 0.78 HSPA5 (0.51) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL11795971 0.78 HSPA5 (0.70) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL25955774 0.78 GAA (0.64) GAAHSPA5KMT2AHMGCRALDH1A1
SCHEMBL12443045 0.77 HSPA5 (0.47) GAAHSPA5KMT2AHMGCRALDH1A1

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-20070032581-A1 Additive mixtures CIBA CORPORATION 2007-02-08 US disclosed