SCHEMBL8410307

SCHEMBL8410307

O=C(O)[C@@H]1Cc2ccccc2[C@]1(O)C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 3/20 0.44
HDAC4 P56524 12/20 0.41
MMP8 P22894 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8409829 0.87 MAOB (0.40) HDAC9GAAMAPT
SCHEMBL8409794 0.85 HDAC9 (0.49) HDAC9HDAC4MMP8
SCHEMBL8406842 0.72 HDAC9 (0.39) HDAC9
SCHEMBL6071126 0.70 GAA (0.40) GAAMAPT
SCHEMBL9527735 0.70 LMNA (0.42) GAAMAPT
SCHEMBL11799039 0.69 AKR1C1 (0.40) HDAC9GAAMAPT
SCHEMBL3800430 0.66 GAA (0.36) GAAMAPT
SCHEMBL30715059 0.65 GAA (0.35) GAAMAPT
SCHEMBL17536809 0.64 OPRL1 (0.38) GAAMAPT
SCHEMBL9543849 0.63 KIF11 (0.44) MAPT

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