SCHEMBL13685799

SCHEMBL13685799

COc1cccc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.78
▸ MMP1 P03956 1/20 0.78
▸ FOS P01100 1/20 0.56
▸ TTR P02766 1/20 0.56
▸ JUN P05412 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ HSD17B1 P14061 1/20 0.56
▸ HSD17B2 P37059 1/20 0.56
▸ CALM1 P0DP23 2/20 0.54
▸ ALOX15 P16050 2/20 0.52
▸ ALOX12 P18054 2/20 0.52
▸ TAAR1 Q96RJ0 4/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ PIK3CG P48736 1/20 0.45

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
(+)-Secoisolariciresinol SCHEMBL20402961 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL29363814 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL30334899 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL31677395 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL12427083 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL30605875 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL29617981 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL325398 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
(+)-Secoisolariciresinol SCHEMBL21028109 0.89 CYP3A4 (1.00) CYP3A4MMP1FOSTTRJUN
SCHEMBL28903822 0.88 CYP3A4 (0.81) CYP3A4MMP1FOSTTRJUN

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
US-7582677-B2 Lignan formulations HORMOS MEDICAL CORP. (FI) 2009-09-01 — — US disclosed
US-7582677-B2 Lignan formulations HORMOS MEDICAL CORP. (FI) 2009-09-01 — — US disclosed
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