SCHEMBL30929960

SCHEMBL30929960

O=C(O)c1cc(COc2ccc3ccccc3c2-c2c(OCc3cc(C(=O)O)c4ccccc4c3)ccc3ccccc23)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.49
WDR5 P61964 1/20 0.49
PTGER1 P34995 5/20 0.48
FOLH1 Q04609 2/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
SOS1 Q07889 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
PTGS2 P35354 1/20 0.43
CDC25B P30305 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
SCHEMBL32684339 0.86 MAPT (0.51) MAPTSMN1; SMN2CTSVCTSLPTGS2
SCHEMBL30929954 0.82 MRGPRX4 (0.62) MRGPRX4FOLH1NPC1MAPTRAB9A
SCHEMBL30929967 0.81 WDR5 (0.51) MRGPRX4WDR5FOLH1NPC1MAPT
SCHEMBL29506850 0.80 RXRA (0.57) MRGPRX4PTGER1NPC1MAPTRAB9A
SCHEMBL30929951 0.80 TP53 (0.57) MRGPRX4WDR5FOLH1SMN1; SMN2SOS1
SCHEMBL30929959 0.80 RXRA (0.57) MRGPRX4PTGER1NPC1MAPTRAB9A
SCHEMBL30929970 0.80 WDR5 (0.57) MRGPRX4WDR5NPC1MAPTRAB9A
SCHEMBL30929962 0.80 MRGPRX4 (0.60) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30929983 0.79 MRGPRX4 (0.78) MRGPRX4NPC1RAB9ASMN1; SMN2NR4A2
SCHEMBL2526976 0.77 ALDH1A1 (0.59) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2

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