SCHEMBL7860490

SCHEMBL7860490

COc1ccc(COC(=O)c2c[nH]c(=O)c(CCOC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 2/20 0.44
CA2 P00918 2/20 0.42
TACR1 P25103 1/20 0.42
CA1 P00915 1/20 0.42
ACHE P22303 1/20 0.42
CYP3A4 P08684 3/20 0.41
MAPT P10636 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CA5A P35218 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL7860539 0.89 MEN1 (0.46) MEN1KMT2ACA2CA1CYP3A4
SCHEMBL7862192 0.89 MEN1 (0.46) MEN1KMT2ACA2CA1CYP3A4
SCHEMBL7861761 0.89 MEN1 (0.49) MEN1KMT2ACA2CA1CYP3A4
SCHEMBL3732038 0.82 ATM (0.51) ATMCTSDCA2CYP3A4MAPT
SCHEMBL3740465 0.78 ATM (0.55) ATMKMT2ACTSDCA2CA1
SCHEMBL7861765 0.77 MMP9 (0.46) ATMMAPTALDH1A1TSHR
SCHEMBL3729371 0.77 CTSD (0.46) ATMMEN1KMT2ACTSDCA2
SCHEMBL3725477 0.77 ATM (0.51) ATMMEN1KMT2ACTSDCA2
SCHEMBL3727297 0.73 CA2 (0.53) ATMMEN1KMT2ACA2CA1
SCHEMBL3735287 0.73 CA2 (0.49) MEN1KMT2ACA2CA1CYP3A4

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 4 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
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed