SCHEMBL8093403

SCHEMBL8093403

COc1ccc(C2COc3cc(O)c(CC=C(C)C)c(OC)c3C2)c(O)c1CC=C(C)C

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.85
▸ ACHE P22303 1/20 0.85
▸ TYR P14679 2/20 0.76
▸ CYP19A1 P11511 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8089842 0.94 TYR (0.79) PTPN1ACHETYRKDM4EALDH1A1
Licoricidin SCHEMBL30631340 0.92 PTPN1 (1.00) PTPN1ACHETYR
Licoricidin SCHEMBL22704769 0.92 PTPN1 (1.00) PTPN1ACHETYR
Licoricidin SCHEMBL744305 0.92 PTPN1 (1.00) PTPN1ACHETYR
Licoricidin SCHEMBL30405793 0.92 PTPN1 (1.00) PTPN1ACHETYR
SCHEMBL26115163 0.89 PTPN1 (0.87) PTPN1ACHETYR
SCHEMBL30631316 0.89 PTPN1 (0.87) PTPN1ACHETYR
SCHEMBL8081861 0.89 PTPN1 (0.87) PTPN1ACHETYR
SCHEMBL8093438 0.88 PTPN1 (0.89) PTPN1ACHETYR
SCHEMBL8093409 0.87 TYR (0.80) PTPN1ACHETYRKDM4EALDH1A1

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
EP-1057825-A1 ISOFLAVANE DERIVATIVES AND IMMUNOPOTENTIATING COMPOSITIONS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2000-12-06 — — EP disclosed
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