SCHEMBL11754366

SCHEMBL11754366

CCOP(=O)(CCC(=O)NC=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
TSHR P16473 2/20 0.39
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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 0.79 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL11596171 0.78 PPARD (0.50) PPARDTSHRCA12CA1CA2
SCHEMBL10606477 0.76 PPARD (0.53) PPARDTSHRCA12CA1CA2
SCHEMBL734947 0.73 PPARD (0.54) PPARDTSHRCA12CA1CA2
SCHEMBL1276434 0.72 PPARD (0.58) PPARDTSHRCA12CA1CA2
SCHEMBL2991834 0.72 PPARD (0.58) PPARDTSHRCA12CA1CA2
SCHEMBL11752422 0.72 FNTA (0.40) FNTAFNTB
SCHEMBL11595189 0.72 PPARD (0.44) PPARDTSHRCA12CA1CA2
SCHEMBL11595260 0.72 PPARD (0.44) PPARDTSHRCA12CA1CA2
SCHEMBL491800 0.72 PPARD (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4063883-A PHOSPHORUS PENTA(NITRIDE) AND A PHOSPHATE OR PHOSPHONATE HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-20 US claimed
US-4063883-A PHOSPHORUS PENTA(NITRIDE) AND A PHOSPHATE OR PHOSPHONATE HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-20 US disclosed