SCHEMBL30140565

SCHEMBL30140565

CC1(C)C=Cc2cc(O)ccc2O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ PTGS2 P35354 1/20 0.68
▸ PTPN1 P18031 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TYR P14679 1/20 0.51

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
SCHEMBL8723354 1.00 XDH (0.68) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL31254058 0.85 PTPN1 (0.52) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL27810630 0.85 PTPN1 (0.52) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL14541271 0.81 COXFA4 (0.52) XDHPTGS1PTGS2PTPN1TDP1
Daedalin A SCHEMBL29983386 0.81 PTGS1 (1.00) XDHPTGS1PTGS2PTPN1TDP1
Quercinol SCHEMBL29967584 0.80 PTGS1 (0.60) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL19600968 0.80 PTGS1 (0.60) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL3049240 0.79 ALDH1A1 (0.46) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL7738844 0.79 HIF1A (0.58) XDHPTGS1PTGS2PTPN1TDP1
SCHEMBL6024450 0.78 HTR2C (0.54) XDHPTGS1PTGS2PTPN1TDP1

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
CN-115518096-A Integrated comprehensive extraction and separation method for effective components of epimedium 李玉山 2022-12-27 — — CN disclosed
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