SCHEMBL5503229

SCHEMBL5503229

C=C1C(=C)C2CCC1C(=O)OC1CCCCC1OC2=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.38
F2 P00734 5/20 0.38
CTRC Q99895 2/20 0.38

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
SCHEMBL2493398 0.79
SCHEMBL15763918 0.71 PRSS1 (0.36) PRSS1F2CTRC
SCHEMBL15763970 0.71 PRSS1 (0.36) PRSS1F2CTRC
SCHEMBL16221630 0.69 PRSS1 (0.32) PRSS1F2CTRC
SCHEMBL13783610 0.69 PRSS1 (0.32) PRSS1F2CTRC
SCHEMBL18205746 0.69
SCHEMBL2351624 0.69 PRSS1 (0.32) PRSS1F2CTRC
SCHEMBL14219148 0.69 PRSS1 (0.32) PRSS1F2CTRC
SCHEMBL11240661 0.69 PRSS1 (0.32) PRSS1F2CTRC
SCHEMBL303670 0.69

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-1812505-A2 STABILIZED ALIPHATIC POLYESTER COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2007-08-01 EP disclosed
WO-2006055315-A2 STABILIZED ALIPHATIC POLYESTER COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2006-05-26 WO disclosed