SCHEMBL10609388

SCHEMBL10609388

COc1ccc(C2Oc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3C(=O)C2OC(C)=O)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.58
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.49
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL10608985 0.86 ALDH1A1 (0.67) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL5264350 0.83 ALDH1A1 (0.41) ABCB1MEN1KMT2AALDH1A1PDE4A
SCHEMBL6078672 0.83 ALDH1A1 (0.41) ABCB1MEN1KMT2AALDH1A1PDE4A
SCHEMBL22529289 0.82 ALDH1A1 (0.41) ABCB1MEN1KMT2AALDH1A1PDE4A
SCHEMBL14427922 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1PDE4APDE4B
SCHEMBL7242379 0.80 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14380399 0.79 MEN1 (0.42) ABCB1MEN1KMT2AALDH1A1GABRA1
SCHEMBL3932082 0.76 STING1 (0.41) MEN1KMT2AALDH1A1GABRA1GABRB2
SCHEMBL3923100 0.75 ALDH1A1 (0.62) ABCB1MEN1KMT2AALDH1A1GABRA1
SCHEMBL28320416 0.75 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT

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-1988008256-A1 DIHYDROFLAVONOL DERIVATIVES USEFUL AS SWEETENERS UNIVERSITY PATENTS, INC. (US) 1988-11-03 — — WO disclosed
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