SCHEMBL9302171

SCHEMBL9302171

[CH2]CCCC(CCC(C)C(=O)OCCC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
BIRC2 Q13490 4/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL7854404 0.84 CA1 (0.38) CA1CA2SMN1; SMN2MEN1ALDH1A1
SCHEMBL27756272 0.77 ALDH1A1 (0.36) CA1CA2SMN1; SMN2MEN1ALDH1A1
SCHEMBL27533711 0.76 ALDH1A1 (0.45) CA1CA2SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14890241 0.76 CA2 (0.71) CA1CA2BIRC2ZDHHC7L3MBTL1
SCHEMBL9324785 0.73 TSHR (0.47) CA1ALDH1A1
SCHEMBL21052368 0.73 CA2 (0.80) CA1CA2BIRC2ZDHHC7ABCB1
SCHEMBL27975121 0.72 CA1 (0.51) CA1CA2BIRC2ZDHHC7MEN1
SCHEMBL7218218 0.71 CA1 (0.47) CA1CA2L3MBTL1ALDH1A1
SCHEMBL8950290 0.71 CA2 (0.83) CA1CA2BIRC2ZDHHC7ABCB1
SCHEMBL3905507 0.71 ALDH1A1 (0.46) CA1SMN1; SMN2MEN1ALDH1A1KMT2A

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-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 US disclosed