SCHEMBL7862038

SCHEMBL7862038

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTSS P25774 2/20 0.45
AAK1 Q2M2I8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
MGLL Q99685 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SYK P43405 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 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
SCHEMBL7861922 0.87 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15056984 0.85 KMT2A (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22468533 0.84 MEN1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7855037 0.84 ATM (0.49) MEN1KMT2ANPC1RAB9ACTSS
SCHEMBL503402 0.84 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8476244 0.83 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1151094 0.82 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10349980 0.81 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6444094 0.80 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1728479 0.79 SYK (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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