SCHEMBL8082632

SCHEMBL8082632

NC(=O)C1(NC(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
PTGS1 P23219 1/20 0.47
CXCR5 P32302 1/20 0.46
PPIA P62937 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
P2RX7 Q99572 1/20 0.43
HSD11B1 P28845 1/20 0.41
PTPRC P08575 1/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RECQL P46063 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL3752257 0.87 LMNA (0.57) LMNAGAAPTGS1CXCR5PPIA
SCHEMBL15825667 0.80 LMNA (0.49) LMNAGAAPTGS1CXCR5PPIA
SCHEMBL3753308 0.79 GAA (0.48) LMNAGAACXCR5PPIAKCNK3
SCHEMBL3308725 0.77 CXCR5 (0.71) LMNAGAACXCR5
SCHEMBL961793 0.74 LMNA (0.66) LMNAGAAPTGS1PPIAKCNK3
SCHEMBL1128084 0.74 LMNA (0.70) LMNAGAAPTGS1PPIAKCNK3
SCHEMBL9830646 0.73 GAA (0.75) LMNAGAAPTGS1PPIAKCNK3
SCHEMBL16372245 0.73 LMNA (0.51) LMNAGAAPTGS1PPIAKCNK3
SCHEMBL8653738 0.73 LMNA (0.64) LMNAGAAPTGS1PPIAKCNK3
SCHEMBL464462 0.72 PSMB5 (0.76) LMNAGAACXCR5PSMB11PSMA7

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-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed
WO-2009051581-A1 PROTEASOME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 WO disclosed