SCHEMBL30335008

SCHEMBL30335008

CC1(C)C=Cc2c(O)cc(O)c(C(=O)C=Cc3ccccc3)c2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ THPO P40225 1/20 0.58
▸ EEF2K O00418 1/20 0.58

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
SCHEMBL12599524 1.00 MAPT (0.58) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL24785845 0.81 KDM4E (0.84) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31376253 0.77 NFKB1 (0.62) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3129302 0.76 SLC5A1 (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3129298 0.76 SLC5A1 (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31376180 0.76 NFKB1 (0.68) MAPTKMT2AMEN1KDM4EALDH1A1
Lonchocarpin SCHEMBL29435870 0.75 PTPN1 (0.83) ACHEODC1BCHEPTPN1BACE1
SCHEMBL24728166 0.74 PTPN1 (0.52) MAPTKMT2AMEN1KDM4EALDH1A1
Rottlerin SCHEMBL2524109 0.74 KDM4E (1.00) MAPTKMT2AMEN1KDM4EALDH1A1
Rottlerin SCHEMBL6694400 0.74 KDM4E (1.00) MAPTKMT2AMEN1KDM4EALDH1A1

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-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 — — WO claimed
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 — — WO disclosed
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