SCHEMBL6065161

SCHEMBL6065161

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
HTT P42858 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
STS P08842 2/20 0.47
F10 P00742 3/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
FPR2 P25090 2/20 0.45
FPR3 P25089 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR3C1 P04150 2/20 0.44
USP30 Q70CQ3 1/20 0.44
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6065156 1.00 RAB9A (0.52) RAB9APOLBHTTPTPN2PTPN1
SCHEMBL4445653 0.85 F10 (0.51) POLBHTTPTPN2PTPN1PTPN6
SCHEMBL6065732 0.85 F10 (0.51) POLBHTTPTPN2PTPN1PTPN6
SCHEMBL2202193 0.82 FPR2 (0.51) PTPN2PTPN1PTPN6ALDH1A1FPR2
SCHEMBL17729066 0.79 PTPN2 (0.56) RAB9APOLBPTPN2PTPN1PTPN6
SCHEMBL1751821 0.79 PDE4B (0.58) STSMEN1KMT2ANPSR1
SCHEMBL12592456 0.79 PDE4B (0.58) STSMEN1KMT2ANPSR1
SCHEMBL1267217 0.79 PDE4B (0.58) STSMEN1KMT2ANPSR1
SCHEMBL8283575 0.79 PTPN2 (0.81) RAB9AHTTPTPN2PTPN1PTPN6
SCHEMBL1015010 0.79 PDE4B (0.58) STSMEN1KMT2ANPSR1

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