SCHEMBL29559106

SCHEMBL29559106

O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO2B1 O94956 3/20 1.00
▸ SYNJ2 O15056 1/20 1.00
▸ PTPN1 P18031 3/20 0.86
▸ KDM1A O60341 2/20 0.82
▸ PKM P14618 2/20 0.79
▸ DPP4 P27487 1/20 0.76
▸ GSK3B P49841 2/20 0.69
▸ CYP19A1 P11511 2/20 0.69
▸ UBE2N P61088 1/20 0.69
▸ POLB P06746 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ CALM1 P0DP23 1/20 0.64
▸ CACNA1B Q00975 1/20 0.64
▸ APBA1 Q02410 1/20 0.64
▸ CTDSP1 Q9GZU7 1/20 0.64
▸ TRPA1 O75762 1/20 0.63
▸ P4HB P07237 1/20 0.63
▸ TRPV1 Q8NER1 1/20 0.63

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
SCHEMBL20437868 1.00 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
SCHEMBL292299 1.00 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
SCHEMBL3451231 1.00 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
SCHEMBL28281120 1.00 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
SCHEMBL3934884 1.00 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
Prunin SCHEMBL1122487 0.93 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
Prunin SCHEMBL2532187 0.93 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
Prunin SCHEMBL31233345 0.93 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
Prunin SCHEMBL318230 0.93 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM
Prunin SCHEMBL31233342 0.93 SLCO2B1 (1.00) SLCO2B1SYNJ2PTPN1KDM1APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404126-A1 ENCAPSULATED PRECURSORS OF NICOTINAMIDE ADENINE DINUCLEOTIDE AND METHODS OF MAKING THE SAME Nulixir Inc. 2023-12-21 — — US disclosed
EP-3982924-B1 PLANT EXTRACT MIXTURE FOR USE IN THE PREVENTION AND/OR TREATMENT OF CHRONIC INFLAMMATORY BOWEL DISEASES VALBIOTIS (FR) 2023-07-26 — — EP disclosed
EP-4039332-A1 METHOD OF EXTRACTION AND ENRICHMENT OF MONOGLYCOSYLATED FLAVONOIDS FROM CHRYSANTHELLUM INDICUM FOR THE TREATMENT OF INFLAMMATORY-BASED POLYARTHRITIC DISORDERS, FOR USE IN COSMETIC, NUTRACEUTICAL AND MEDICAL DEVICES AND PHARMACEUTICAL APPLICATIONS Phytoitalia SRL (IT) 2022-08-10 — — EP disclosed
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