SCHEMBL14601491

SCHEMBL14601491

C=CC[C@@H]1C(=O)OC[C@H](C)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.37
CTRC Q99895 2/20 0.37
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34

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
SCHEMBL14601501 0.81 FAAH (0.35)
SCHEMBL2845072 0.81 PRSS1 (0.38) PRSS1CTRCF2ELANECTSG
SCHEMBL6295869 0.79 PRSS1 (0.41) PRSS1CTRCF2ELANECTSG
SCHEMBL6427227 0.79 PRSS1 (0.41) PRSS1CTRCF2ELANECTSG
SCHEMBL6427222 0.79 PRSS1 (0.41) PRSS1CTRCF2ELANECTSG
SCHEMBL7053913 0.79 PRSS1 (0.41) PRSS1CTRCF2ELANECTSG
SCHEMBL9304547 0.71 PRKCA (0.44)
SCHEMBL13537778 0.70
SCHEMBL9616924 0.69 F2 (0.42) PRSS1CTRCF2ELANECTSG
SCHEMBL3976565 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
US-20070015260-A1 Synthesis of synthons for the manufacture of bioactive compounds DIVERSA CORPORATION 2007-01-18 US disclosed
US-20070015260-A1 Synthesis of synthons for the manufacture of bioactive compounds DIVERSA CORPORATION 2007-01-18 US disclosed