SCHEMBL11596171

SCHEMBL11596171

CCOP(=O)(CCC(=O)NN)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.50
CTSD P07339 1/20 0.48
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.39
KDM5C P41229 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLAU P00749 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL19818737 0.82 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL9266772 0.80 TSHR (0.44) PPARDCTSDTSHRKDM4EKDM5C
SCHEMBL10606477 0.79 PPARD (0.53) PPARDTSHRCA12CA1CA2
SCHEMBL11595260 0.79 PPARD (0.44) PPARDTSHRCA12CA1CA2
SCHEMBL11595189 0.79 PPARD (0.44) PPARDTSHRCA12CA1CA2
SCHEMBL11754366 0.78 PPARD (0.47) PPARDTSHRCA12CA1CA2
SCHEMBL5839773 0.78 PPARD (0.56) PPARDTSHRCA12CA1CA2
SCHEMBL734947 0.76 PPARD (0.54) PPARDTSHRKDM4ECA12CA1
SCHEMBL1276434 0.75 PPARD (0.58) PPARDTSHRCA12CA1CA2
SCHEMBL2991834 0.75 PPARD (0.58) PPARDTSHRCA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125575-A Phosphonylated amides COMPAGNIE FRANCAISE DE PRODUITS INDUSTRIELS (FR) 1978-11-14 US claimed