SCHEMBL8409794

SCHEMBL8409794

O=C(O)[C@@H]1CCc2ccccc2[C@]1(O)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 3/20 0.49
HDAC4 P56524 12/20 0.39
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MMP8 P22894 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8406842 0.87 HDAC9 (0.39) HDAC9NR1H2NR1H3MAPK1SMN1; SMN2
SCHEMBL8410307 0.85 HDAC9 (0.44) HDAC9HDAC4MMP8
SCHEMBL5835341 0.74 LMNA (0.44) HDAC9NR1H2NR1H3MAPK1SMN1; SMN2
SCHEMBL8409829 0.72 MAOB (0.40) HDAC9
SCHEMBL30558843 0.72 LMNA (0.42) NR1H2NR1H3MAPK1SMN1; SMN2
SCHEMBL9397048 0.69 MTNR1A (0.38) HDAC9
SCHEMBL10718250 0.69 LMNA (0.35) HDAC9NR1H2NR1H3MAPK1SMN1; SMN2
SCHEMBL17316117 0.66 HDAC9 (1.00) HDAC9HDAC4
SCHEMBL17327652 0.66 HDAC9 (1.00) HDAC9HDAC4
SCHEMBL17327651 0.66 HDAC9 (1.00) HDAC9HDAC4

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-5942644-A Precursors for the production of chiral vicinal aminoalcohols BIOCATALYTICS, INC. (US) 1999-08-24 US disclosed