SCHEMBL30054526

SCHEMBL30054526

C=CCOc1ccc(C2Oc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3CC2OC(=O)OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.47
▸ STING1 Q86WV6 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ F10 P00742 3/20 0.39

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
SCHEMBL30054293 1.00 ABCB1 (0.47) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL30054286 0.88 STING1 (0.50) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL30053520 0.87 STING1 (0.48) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL14691305 0.85 STING1 (0.42) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL3923100 0.84 ALDH1A1 (0.62) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL24984253 0.82 STING1 (0.61) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL30141106 0.82 STING1 (0.61) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL13508129 0.82 STING1 (0.53) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL4639560 0.81 MEN1 (0.61) ABCB1STING1MEN1MAPTKMT2A
SCHEMBL4674783 0.81 MEN1 (0.61) ABCB1STING1MEN1MAPTKMT2A

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
WO-2022255417-A1 METHOD FOR PRODUCING CATECHIN CONJUGATE 花王株式会社 2022-12-08 — — WO disclosed
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