SCHEMBL29220751

SCHEMBL29220751

COc1ccc(C(O)COc2cccc(OC)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 1/20 0.57
CASR P41180 1/20 0.52
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
TP53 P04637 2/20 0.49
AOC3 Q16853 3/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL30892513 1.00 TSHR (0.62) TSHRMAPK1KDM4ECASRMTNR1A
SCHEMBL28526669 0.87 LMNA (0.55) TSHRCASRAOC3LMNA
SCHEMBL9369893 0.83 TSHR (0.57) TSHRMAPK1KDM4EMTNR1AMTNR1B
SCHEMBL1496702 0.81 KMT2A (0.58) TSHRMAPK1KDM4ECASRAOC3
SCHEMBL31572500 0.81 AOC3 (0.59) TSHRMAPK1KDM4ECASRMTNR1A
SCHEMBL29556704 0.80 TSHR (0.49) TSHRMAPK1KDM4EAOC3LMNA
SCHEMBL1496491 0.80 TSHR (0.70) TSHRMAPK1KDM4ECASRMTNR1A
SCHEMBL29847698 0.80 TSHR (0.70) TSHRMAPK1KDM4ECASRMTNR1A
SCHEMBL31425002 0.79 MAPT (0.53) TSHRMAPK1AOC3LMNAL3MBTL1
SCHEMBL2886168 0.79 PPARG (0.56) TSHRMAPK1KDM4EAOC3PPARG

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-118063297-A Method for converting lignin and model compound thereof into high-added-value compound 兰州大学 2024-05-24 CN disclosed