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SCHEMBL24909191

SCHEMBL24909191

COc1cc(OC)cc(OC(=O)C(OC)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(OC)C(=O)Oc2cc(OC)cc(OC)c2)C6=O)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ NPBWR1 P48145 2/20 0.30
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL24908955 0.86 TNF (0.35) TNFMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24909084 0.77 MAPT (0.43) TNFMAPTSMN1; SMN2L3MBTL1
SCHEMBL24908996 0.77 TP53 (0.41) TNFMAPTL3MBTL1
SCHEMBL24908750 0.76 TNF (0.32) TNFMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24909187 0.76 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL24705883 0.75 BCHE (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL24908672 0.74 ALDH1A1 (0.32) —
SCHEMBL24909124 0.73 SLC6A3 (0.34) TNFMEN1KMT2APDE4APDE4B
SCHEMBL24908953 0.72 GAA (0.36) MAPTSMN1; SMN2L3MBTL1PDE4APDE4B
SCHEMBL24705354 0.71 BCHE (0.36) L3MBTL1PDE4APDE4BPDE4CPDE4D

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
US-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 — — US disclosed