SCHEMBL28633934

SCHEMBL28633934

CCOC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.53
PDE7A Q13946 1/20 0.52
RAB9A P51151 1/20 0.51
PPIA P62937 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL794412 0.90 KMT2A (0.62) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL2719972 0.89 LMNA (0.56) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL2788605 0.88 LMNA (0.55) KDM4EHPGDLMNASMN1; SMN2SLC6A2
SCHEMBL24983859 0.86 HPGD (0.57) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL30141079 0.86 HPGD (0.57) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4403626 0.86 SMN1; SMN2 (0.61) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL2338199 0.85 HPGD (0.76) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL9732613 0.85 MAOB (0.58) SMN1; SMN2NPC1RAB9ACA12CA1
SCHEMBL16055886 0.85 SMN1; SMN2 (0.54) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL16055314 0.85 MRGPRX4 (0.53) KDM4EHPGDLMNASMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402417-B Zinc-aluminum ion recognition fluorescent probe and preparation method and application thereof 上海交通大学医学院附属瑞金医院 2023-01-03 CN disclosed
CN-113402417-A Zinc-aluminum ion recognition fluorescent probe and preparation method and application thereof 上海交通大学医学院附属瑞金医院 2021-09-17 CN disclosed