SCHEMBL7922676

SCHEMBL7922676

CCOP(=O)(CCC(=O)CC)OCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.56
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29169496 0.86 PPARD (0.50) PPARDTSHRCA12CA1CA2
SCHEMBL13934351 0.82 PPARD (0.50) PPARDTSHRTP53CA12CA1
SCHEMBL2991834 0.80 PPARD (0.58) PPARDTSHRTDP1TP53HTT
SCHEMBL1276434 0.80 PPARD (0.58) PPARDTSHRTDP1TP53CA12
SCHEMBL14549069 0.79 PPARD (0.57) PPARDTSHRCA12CA1CA2
SCHEMBL13921035 0.79 PPARD (0.47) PPARDTSHRTDP1TP53CA12
SCHEMBL28021210 0.78 PPARD (0.56) PPARDTSHRTDP1TP53CA12
SCHEMBL7425644 0.78 PPARD (0.56) PPARDTSHRTDP1TP53HTT
SCHEMBL5839773 0.78 PPARD (0.56) PPARDTSHRTDP1TP53HTT
SCHEMBL712616 0.77 TSHR (0.50) PPARDTSHRTDP1TP53HTT

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-1095050-A1 PHOSPHOROUS ORGANIC COMPOUNDS AND THEIR USE Jomaa, Hassan (DE) 2001-05-02 EP disclosed
WO-2000004031-A1 PHOSPHOROUS ORGANIC COMPOUNDS AND THEIR USE JOMAA HASSAN (DE) 2000-01-27 WO disclosed