Sugi Predict

Sugi Predict / Compounds / SCHEMBL9753749

SCHEMBL9753749

SCHEMBL9753749

CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HK1 P19367 2/20 0.52
▸ HK2 P52789 2/20 0.52
▸ SLC5A2 P31639 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 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
SCHEMBL9753747 1.00 HK1 (0.52) HK1HK2SLC5A2CA1CA2
SCHEMBL9753425 0.87 HK1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753448 0.87 HK1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753451 0.87 HK1 (0.49) HK1HK2CA1CA2CA9
SCHEMBL9753607 0.86 HK1 (0.48) HK1HK2CA1CA2CA9
SCHEMBL20220854 0.82 SLC5A2 (0.66) SLC5A2
SCHEMBL20221046 0.82 SLC5A2 (0.66) SLC5A2
SCHEMBL15820814 0.82 SLC5A2 (0.66) SLC5A2
SCHEMBL15820816 0.82 SLC5A2 (0.66) SLC5A2
SCHEMBL23479795 0.80 ALDH1A1 (0.59) —

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