SCHEMBL7861922

SCHEMBL7861922

CC(C)(COC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)OCCl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AAK1 Q2M2I8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CTSS P25774 1/20 0.42
LMNA P02545 2/20 0.41
SYK P43405 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8476244 0.92 MEN1 (0.54) MEN1KMT2AAAK1SMN1; SMN2CTSS
SCHEMBL7862038 0.87 MEN1 (0.52) MEN1KMT2AAAK1SMN1; SMN2CTSS
SCHEMBL7855037 0.85 ATM (0.49) MEN1KMT2AAAK1CTSSNPC1
SCHEMBL15056984 0.80 KMT2A (0.56) MEN1KMT2AAAK1SMN1; SMN2CTSS
SCHEMBL22468533 0.80 MEN1 (0.66) MEN1KMT2AAAK1SMN1; SMN2CTSS
SCHEMBL2877995 0.80 MEN1 (0.50) MEN1KMT2AAAK1SMN1; SMN2CTSS
SCHEMBL21611821 0.79 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2LMNASYK
SCHEMBL3727071 0.79 CTSB (0.49) MEN1KMT2ACTSSSYKRAB9A
SCHEMBL3730098 0.79 CTSB (0.49) MEN1KMT2ACTSSSYKRAB9A
SCHEMBL1151094 0.78 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CTSSLMNA

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
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed