SCHEMBL6065732

SCHEMBL6065732

CCOC(=O)C1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
STS P08842 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
FPR3 P25089 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
SCHEMBL4445653 1.00 F10 (0.51) F10PTPN2PTPN1PTPN6KMT2A
SCHEMBL6065156 0.85 RAB9A (0.52) F10PTPN2PTPN1PTPN6KMT2A
SCHEMBL6065161 0.85 RAB9A (0.52) F10PTPN2PTPN1PTPN6KMT2A
SCHEMBL2930651 0.80 NR1H2 (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL1052491 0.80 NR1H2 (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL2930654 0.80 NR1H2 (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL17761976 0.78 NR1H2 (0.42) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL2202193 0.77 FPR2 (0.51) PTPN2PTPN1PTPN6ALDH1A1FPR3
SCHEMBL1030074 0.77 KMT2A (0.48) F10KMT2AHTTTDP1LMNA
SCHEMBL16109199 0.77 MEN1 (0.48) KMT2ALMNANPSR1MEN1ALDH1A1

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-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed