SCHEMBL28646339

SCHEMBL28646339

O=[N+]([O-])c1ccccc1[C@@]1(O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GRK6 P43250 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS4 P56470 1/20 0.35
SLC29A1 Q99808 2/20 0.34
MANBA O00462 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL28640068 1.00 ALDH1A1 (0.36) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL28641496 1.00 ALDH1A1 (0.36) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL9216199 0.89 GPR35 (0.39) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL16989814 0.82 GRK6 (0.40) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL4314682 0.82 GRK6 (0.40) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL27775834 0.76 LGALS3 (0.40) ALDH1A1TSHRCYP1A2NFKB1THPO
SCHEMBL3138140 0.75 MANBA (0.38) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL3920584 0.74 PYGL (0.38) ALDH1A1LGALS3MEN1KMT2A
SCHEMBL1292868 0.74 MANBA (0.40) ALDH1A1GRK6TSHRCYP1A2NFKB1
SCHEMBL7648678 0.74 MANBA (0.40) ALDH1A1GRK6TSHRCYP1A2NFKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116064477-B Beta-glycosidase of glycosidase family 43, and coding gene and application thereof 华中科技大学 2024-06-21 CN disclosed
CN-116064477-A Beta-glycosidase of glycosidase family 43, and coding gene and application thereof 华中科技大学 2023-05-05 CN disclosed
CN-113278548-B Lactobacillus crispatus and application thereof in producing products for improving human vaginal environment 南方医科大学珠江医院 2022-02-22 CN disclosed
CN-113512509-B Lactobacillus crispatus and uses thereof 南方医科大学珠江医院 2022-02-22 CN disclosed
CN-113512509-A Lactobacillus crispatus and uses thereof 南方医科大学珠江医院 2021-10-19 CN disclosed
CN-113278548-A Lactobacillus crispatus and application thereof in producing products for improving human vaginal environment 南方医科大学珠江医院 2021-08-20 CN disclosed