SCHEMBL30637608

SCHEMBL30637608

CC1(C)CCc2c(ccc3c2oc2c4ccc(O)cc4oc(=O)c32)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.54
▸ ESR2 Q92731 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GLA P06280 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAOA P21397 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MGAM O43451 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ CSNK2A2 P19784 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ CSNK2B P67870 1/20 0.54

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
Isoglycyrol SCHEMBL5935152 0.78 TP53 (0.58) ESR1ESR2KDM4EALDH1A1GLA
Isoglycyrol SCHEMBL29354283 0.78 TP53 (0.58) ESR1ESR2KDM4EALDH1A1GLA
Coumestrol SCHEMBL22012 0.72 ESR2 (1.00) ESR1ESR2KDM4EALDH1A1GLA
Coumestrol SCHEMBL29453366 0.72 ESR2 (1.00) ESR1ESR2KDM4EALDH1A1GLA
SCHEMBL9463848 0.70 PDE4D (0.60) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL15870374 0.69 ESR2 (0.84) ESR1ESR2KDM4EALDH1A1GLA
SCHEMBL14177143 0.68 ESR1 (0.82) ESR1ESR2KDM4EALDH1A1GLA
SCHEMBL74591 0.68 KDM4E (0.71) ESR1ESR2KDM4EALDH1A1GLA
SCHEMBL29929471 0.68 KDM4E (0.71) ESR1ESR2KDM4EALDH1A1GLA
SCHEMBL15870375 0.68 KMT2A (0.82) ESR1ESR2KDM4EALDH1A1GLA

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-2023219526-A1 MULTITARGET ANTIVIRAL DIETARY SUPPLEMENT PROKIN MILAN (RS) 2023-11-16 — — WO claimed
WO-2023219526-A1 MULTITARGET ANTIVIRAL DIETARY SUPPLEMENT PROKIN MILAN (RS) 2023-11-16 — — WO disclosed
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