SCHEMBL31233064

SCHEMBL31233064

COc1ccc(C2CC(=O)c3ccc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.81
▸ MEN1 O00255 3/20 0.81
▸ KMT2A Q03164 3/20 0.81
▸ POLB P06746 2/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ GSK3B P49841 2/20 0.81
▸ CALM1 P0DP23 1/20 0.81
▸ CACNA1B Q00975 1/20 0.81
▸ APBA1 Q02410 1/20 0.81
▸ CTDSP1 Q9GZU7 1/20 0.81
▸ DPP4 P27487 1/20 0.68
▸ PTPN1 P18031 2/20 0.66
▸ CYP19A1 P11511 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ IKBKB O14920 1/20 0.55
▸ MDM4 O15151 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ P4HB P07237 1/20 0.55

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
Hesperidin SCHEMBL14502138 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL3764160 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL4450832 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL18654117 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL15214210 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL24105886 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL765367 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL8018716 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL22946699 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1
Hesperidin SCHEMBL17849125 0.89 KDM1A (1.00) KDM1AMEN1KMT2APOLBTDP1

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
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 — — WO disclosed
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