SCHEMBL7855037

SCHEMBL7855037

COc1ccc(COC(=O)C(C)(C)COC(=O)C(C)(C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TACR1 P25103 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
TACR3 P29371 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7861922 0.85 MEN1 (0.48) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL7862038 0.84 MEN1 (0.52) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL3736148 0.81 ATM (0.54) ATMMEN1KMT2ACA1CA2
SCHEMBL22468533 0.80 MEN1 (0.66) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL3735186 0.78 CYP3A4 (0.54) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL15056984 0.78 KMT2A (0.56) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL8476244 0.76 MEN1 (0.54) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL2406040 0.76 ITGB3 (0.61) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL16468538 0.76 ATM (0.64) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL25754099 0.76 ALDH1A1 (0.61) ATMMEN1KMT2AALDH1A1NPC1

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