SCHEMBL30929967

SCHEMBL30929967

O=C(O)c1cc2ccccc2cc1COc1ccc2ccccc2c1-c1c(OCc2cc3ccccc3cc2C(=O)O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.51
MCL1 Q07820 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
FDPS P14324 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FOLH1 Q04609 1/20 0.44
SOS1 Q07889 1/20 0.44
LDHA P00338 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTGS2 P35354 2/20 0.42
CTSV O60911 1/20 0.42

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
SCHEMBL30929951 0.87 TP53 (0.57) WDR5MCL1MEN1KMT2AMRGPRX4
SCHEMBL30929952 0.84 MEN1 (0.56) WDR5MCL1MEN1KMT2AMRGPRX4
SCHEMBL30929961 0.83 WDR5 (0.46) WDR5MCL1MEN1KMT2AMRGPRX4
SCHEMBL30929970 0.82 WDR5 (0.57) WDR5MCL1MEN1KMT2AMRGPRX4
SCHEMBL30929957 0.81 MRGPRX4 (0.49) WDR5MCL1MEN1KMT2AMRGPRX4
SCHEMBL30929960 0.81 MRGPRX4 (0.49) WDR5MRGPRX4FOLH1SOS1NR4A1
SCHEMBL12149845 0.79 MEN1 (0.60) MCL1MEN1KMT2AMRGPRX4FDPS
SCHEMBL30629747 0.77 IDO1 (0.46) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL30929959 0.76 RXRA (0.57) MEN1KMT2AMRGPRX4ALDH1A1HPGD
SCHEMBL29506850 0.76 RXRA (0.57) MEN1KMT2AMRGPRX4ALDH1A1HPGD

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