SCHEMBL584116

SCHEMBL584116

O=C(O)C1CCC(C(=O)O)N(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
ACE P12821 6/20 0.34
REN P00797 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL6270654 0.80 ATM (0.44) MAPTATMACE
SCHEMBL22029854 0.80 ATM (0.44) MAPTATMACE
SCHEMBL6276413 0.80 ATM (0.44) MAPTATMACE
SCHEMBL28531386 0.78 ATM (0.47) ATMACEREN
SCHEMBL1250891 0.78 ATM (0.47) ATMACEREN
SCHEMBL1250894 0.78 ATM (0.47) ATMACEREN
SCHEMBL1250892 0.78 ATM (0.47) ATMACEREN
SCHEMBL4135838 0.77 MAPT (0.47) NOTUMPLGPLATLMNAMAPT
SCHEMBL28087184 0.77 MAPT (0.47) NOTUMPLGPLATLMNAMAPT
SCHEMBL28087182 0.77 MAPT (0.47) NOTUMPLGPLATLMNAMAPT

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-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed