SCHEMBL9701509

SCHEMBL9701509

CCOP(=O)(CCCCO)CP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
LPAR3 Q9UBY5 3/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TYMS P04818 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
SCHEMBL9700806 0.98 PPARD (0.46) PPARDLPAR3LPAR2HSD17B10
SCHEMBL9701504 0.98 PPARD (0.46) PPARDLPAR3LPAR2HSD17B10
SCHEMBL9702638 0.98 PPARD (0.46) PPARDLPAR3LPAR2HSD17B10
Water SCHEMBL9701709 0.96 PPARD (0.44) PPARDLPAR3LPAR2HSD17B10
SCHEMBL2960868 0.86 PPARD (0.53) PPARDLPAR3LPAR2
SCHEMBL2959705 0.82 CYP1A2 (0.41) PPARDLPAR3LPAR2TSHR
SCHEMBL7528050 0.81 LMNA (0.48) PPARDTSHR
SCHEMBL2960861 0.81 PPARD (0.44) PPARDTSHRHSD17B10
SCHEMBL9701761 0.80 LPAR3 (0.45) PPARDLPAR3LPAR2TSHR
SCHEMBL9702696 0.78 LPAR3 (0.47) PPARDLPAR3LPAR2TSHR

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
EP-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP disclosed