SCHEMBL30817313

SCHEMBL30817313

CC(C)(C)OC(=O)NCCCCOc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.48
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ SUCNR1 Q9BXA5 8/20 0.48
▸ BCHE P06276 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PTPN1 P18031 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
SCHEMBL25123488 0.91 SUCNR1 (0.42) CA12CA1CA2CA9SUCNR1
SCHEMBL25123208 0.91 SUCNR1 (0.42) CA12CA1CA2CA9SUCNR1
SCHEMBL25123736 0.90 KDM4E (0.42) SUCNR1BCHECNR2NPC1RAB9A
SCHEMBL25079220 0.87 HDAC1 (0.52) MEN1KMT2APTPN1
SCHEMBL25123002 0.87 BCHE (0.48) SUCNR1BCHECNR2SMN1; SMN2KDM4E
SCHEMBL25123718 0.86 BCHE (0.49) SUCNR1BCHECNR2SMN1; SMN2KDM4E
SCHEMBL25033937 0.85 FFAR4 (0.40) NPC1HTTRAB9ASMN1; SMN2PTPN1
SCHEMBL30440340 0.83 CA12 (0.63) CA12CA1CA2CA9SUCNR1
SCHEMBL31152762 0.83 L3MBTL1 (0.45) BCHENPC1HTTRAB9ASMN1; SMN2
SCHEMBL27411319 0.82 PTPN1 (0.47) NPC1KDM4EMEN1LMNAKMT2A

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-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 — — WO disclosed
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