SCHEMBL24908680

SCHEMBL24908680

COc1cc(OC)cc(OC(=O)C(C(C)C)N2C(=O)c3cc(Oc4ccc(C(C)(C)C)cc4)c4c5c(Oc6ccc(C(C)(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)(C)C)cc8)c(c8c(Oc9ccc(C(C)(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(C(C(=O)Oc2cc(OC)cc(OC)c2)C(C)C)C6=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
TNF P01375 2/20 0.33
FGFR2 P21802 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
STING1 Q86WV6 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CASR P41180 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL24909038 0.93 MAPT (0.34) MAPTTNFFGFR2ALDH1A1NPSR1
SCHEMBL24909308 0.89 L3MBTL1 (0.39) MAPTALDH1A1NPSR1STING1LMNA
SCHEMBL24908715 0.85 DNMT1 (0.39) TNFFGFR2ALDH1A1NPSR1HPGD
SCHEMBL24909059 0.84 ALDH1A1 (0.40) MAPTALDH1A1ALOX15MAPK1TDP1
SCHEMBL24909333 0.83 DNMT1 (0.31) ALDH1A1NPSR1HPGDDNMT1
SCHEMBL24908667 0.80 TP53 (0.48) MAPTALDH1A1NPSR1HPGDLMNA
SCHEMBL24704745 0.80 MAPT (0.34) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL24909623 0.80 SMN1; SMN2 (0.44) MAPTFGFR2ALDH1A1NPSR1MEN1
SCHEMBL24909622 0.80 DNMT1 (0.33) MAPTTNFALDH1A1NPSR1HPGD
SCHEMBL24908754 0.78 NPSR1 (0.37) MAPTALDH1A1NPSR1STING1HPGD

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