SCHEMBL13868615

SCHEMBL13868615

Cc1c(O)c2cc(c1O)[C@H](C)c1cc(c(O)c(C)c1O)[C@H](C)c1cc(c(O)c(C)c1O)[C@H](C)c1cc(c(O)c(C)c1O)[C@@H]2C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
ACHE P22303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9908633 1.00 SELL (0.33) SELLSELPSELEACHECA1
SCHEMBL19421348 0.82 TTR (0.30) SELLSELPSELECA1CA2
SCHEMBL26557298 0.78
SCHEMBL13868616 0.76
SCHEMBL14558122 0.71 MAOA (0.34) SELLSELPSELEACHE
SCHEMBL9908632 0.71 MAOA (0.34) SELLSELPSELEACHE
SCHEMBL28818061 0.67 MAOA (0.41) SELLSELPSELEACHE
SCHEMBL13053965 0.67 KDM4E (0.37)
SCHEMBL6254955 0.63 SELL (0.56) SELLSELPSELEACHECA1
SCHEMBL68382 0.63 CA1 (0.56) SELLSELPSELEACHECA1

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-7531359-B2 Specifically designed to interact with organophosphorus vapors, especially nerve gas agents, sarin gas or dimethyl methylphosphonate; enhanced selectivity and sensitivity; surface plasmon resonance THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-12 US disclosed
US-20070036681-A1 CAVITANDS FOR CHEMICAL VAPOR SENSING THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-15 US disclosed