SCHEMBL6907923

SCHEMBL6907923

COC(=O)c1cc(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.59
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 6/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 3/20 0.50
AGTR1 P30556 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.46
BLM P54132 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5365407 0.87 GAA (0.62) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL11702602 0.86 GAA (0.72) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL20390741 0.82 GAA (0.70) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL6906774 0.80 KDM4E (0.55) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL11914173 0.80 GAA (0.59) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL12270435 0.79 KDM4E (0.62) KMT2AALDH1A1HPGDLMNAHTT
SCHEMBL8515760 0.79 GAA (0.65) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL784951 0.79 GAA (0.65) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL8723466 0.77 MAPT (0.60) GAAKMT2AALDH1A1LMNAAGTR1
SCHEMBL4569551 0.77 GAA (0.63) GAAKMT2AALDH1A1LMNAAGTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192816-A1 Product in subdivided form for preparing crosslinkable elastomeric compositions PIRELLI PNEUMATICI S.P.A. (IT) 2004-09-30 US disclosed
US-4094857-A Copolymerizable phenolic antioxidant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-13 US disclosed