SCHEMBL24909124

SCHEMBL24909124

COc1cc(OC)cc(OC(=O)C(C2CCCC2)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4)c4c5c(Oc6ccc(C(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)C)cc8)c(c8c(Oc9ccc(C(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(C(C(=O)Oc2cc(OC)cc(OC)c2)C2CCCC2)C6=O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.34
KMT2A Q03164 2/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
MCHR1 Q99705 2/20 0.33
NR3C2 P08235 1/20 0.32
MGLL Q99685 2/20 0.32
TNF P01375 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL24705741 0.79 KMT2A (0.32) KMT2A
SCHEMBL24704755 0.78 HTR1A (0.34) KMT2AMEN1
SCHEMBL24909595 0.76 ALOX15 (0.44) HTT
SCHEMBL24909058 0.75 CYP19A1 (0.36) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24909572 0.75 SLC6A2 (0.36) KMT2AGAATSHR
SCHEMBL24909100 0.74 GAA (0.37) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24908707 0.73 ALDH1A1 (0.37) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24909191 0.73 TNF (0.33) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL24908680 0.72 MAPT (0.33) KMT2AMCHR1TNFTDP1MEN1
SCHEMBL24909057 0.72 KMT2A (0.48) KMT2AMEN1GAATSHRHTT

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