SCHEMBL9753451

SCHEMBL9753451

CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HK1 P19367 1/20 0.49
HK2 P52789 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PYGL P06737 1/20 0.45
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL9753448 1.00 HK1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753425 1.00 HK1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753607 0.99 HK1 (0.48) HK1HK2CA1CA2CA9
SCHEMBL9753603 0.88 CA1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753403 0.88 POLB (0.53) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL9753094 0.88 POLB (0.53) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL9753084 0.88 CA1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753407 0.88 POLB (0.53) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL9753749 0.87 HK1 (0.52) HK1HK2CA1CA2CA9
SCHEMBL9753747 0.87 HK1 (0.52) HK1HK2CA1CA2CA9

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
WO-1991007420-A1 NOVEL AMINOBENZOIC ACID N-GLYCOSIDE DERIVATIVES AND PROCESS FOR PREPARING THE SAME BIOGAL Gyógyszergyár Rt. (HU) 1991-05-30 WO claimed
WO-1991007420-A1 NOVEL AMINOBENZOIC ACID N-GLYCOSIDE DERIVATIVES AND PROCESS FOR PREPARING THE SAME BIOGAL Gyógyszergyár Rt. (HU) 1991-05-30 WO disclosed