SCHEMBL7862192

SCHEMBL7862192

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCc1cc(C(=O)OCI)c[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASP3 P42574 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 5/20 0.41
CTSB P07858 4/20 0.41
CTSK P43235 3/20 0.41
CTSS P25774 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
LMNA P02545 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
SCHEMBL7860539 0.91 MEN1 (0.46) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL7861761 0.91 MEN1 (0.49) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL7860490 0.89 ATM (0.45) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL13039822 0.78 CTSB (0.52) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL3729761 0.78 CTSB (0.52) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL22685692 0.78 CTSB (0.58) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL2150881 0.78 CTSB (0.58) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL2150884 0.78 CTSB (0.58) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL2221511 0.76 CTSB (0.56) MEN1KMT2ACASP3CYP3A4CYP2D6
SCHEMBL3739447 0.76 MEN1 (0.45) MEN1KMT2ACASP3CASP1CASP7

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