SCHEMBL30929962

SCHEMBL30929962

O=C(O)c1ccc2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc5ccc(C(=O)O)cc5c4)ccc4ccccc34)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.60
CYSLTR1 Q9Y271 2/20 0.50
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL30929954 0.97 MRGPRX4 (0.62) MRGPRX4CYSLTR1NR1H4ALDH1A1MAPT
SCHEMBL29506850 0.88 RXRA (0.57) MRGPRX4ALDH1A1MAPTGAAHPGD
SCHEMBL30929959 0.88 RXRA (0.57) MRGPRX4ALDH1A1MAPTGAAHPGD
SCHEMBL30929983 0.87 MRGPRX4 (0.78) MRGPRX4HPGDMEN1KMT2ANPC1
SCHEMBL32684052 0.87 MAPT (0.46) MRGPRX4ALDH1A1MAPTGAAMEN1
SCHEMBL30929956 0.85 MRGPRX4 (0.54) MRGPRX4ALDH1A1MAPTGAAHPGD
SCHEMBL7630409 0.84 NR4A2 (0.55) MRGPRX4HPGDMEN1KMT2ANPC1
SCHEMBL32684340 0.84 MAPT (0.48) MRGPRX4CYSLTR1ALDH1A1MAPTGAA
SCHEMBL9597523 0.83 MRGPRX4 (0.58) MRGPRX4CYSLTR1HPGDMEN1KMT2A
SCHEMBL6240179 0.82 MRGPRX4 (0.67) MRGPRX4MAPTHPGDMEN1KMT2A

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-2024115460-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-06-06 WO disclosed