SCHEMBL30929957

SCHEMBL30929957

O=C(O)c1cc(COc2ccc3ccccc3c2-c2c(OCc3cc(C(=O)O)cc4ccccc34)ccc3ccccc23)c2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PARP10 Q53GL7 1/20 0.44
F2 P00734 2/20 0.43
WDR5 P61964 1/20 0.42
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGS2 P35354 2/20 0.41
FDPS P14324 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL32684238 0.86 MAPT (0.45) MEN1KMT2APARP10PTGS2
SCHEMBL30929954 0.82 MRGPRX4 (0.62) MRGPRX4MEN1KMT2A
SCHEMBL30929967 0.81 WDR5 (0.51) MRGPRX4MEN1KMT2APARP10WDR5
SCHEMBL30929961 0.81 WDR5 (0.46) MRGPRX4MEN1KMT2APARP10WDR5
SCHEMBL30929959 0.80 RXRA (0.57) MRGPRX4MEN1KMT2ALMNA
SCHEMBL30929951 0.80 TP53 (0.57) MRGPRX4MEN1KMT2APARP10WDR5
SCHEMBL29506850 0.80 RXRA (0.57) MRGPRX4MEN1KMT2ALMNA
SCHEMBL30929962 0.80 MRGPRX4 (0.60) MRGPRX4MEN1KMT2A
SCHEMBL30929983 0.79 MRGPRX4 (0.78) MRGPRX4MEN1KMT2A
SCHEMBL7630409 0.78 NR4A2 (0.55) MRGPRX4MEN1KMT2A

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