SCHEMBL16751990

SCHEMBL16751990

CC=CCC1CCC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
NOS2 P35228 2/20 0.34
NOS1 P29475 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
SCHEMBL31509049 0.83 CYP1A2 (0.50) CYP1A2CA1CA9
SCHEMBL30886698 0.83 CYP1A2 (0.50) CYP1A2CA1CA9
SCHEMBL19275487 0.81 CYP1A2 (0.53) CYP1A2CA1CA9
SCHEMBL272754 0.79 CYP1A2 (0.58) CYP1A2CA1CA9
SCHEMBL8658984 0.79 CYP1A2 (0.46) CYP1A2CA1CA9
SCHEMBL8660973 0.79 CYP1A2 (0.46) CYP1A2CA1CA9
SCHEMBL10299643 0.78
SCHEMBL8576864 0.76 CYP1A2 (0.64) CYP1A2CA1CA9
SCHEMBL309361 0.76 CYP1A2 (0.59) CYP1A2
SCHEMBL2597399 0.76 CYP1A2 (0.59) CYP1A2

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-2878198-B1 Method for attraction of cambiophagous, xylophagous and/or myzetophagous insects Flügel GmbH (DE) 2016-09-14 EP disclosed
EP-2878198-A1 Method for attraction of cambiophagous, xylophagous and/or myzetophagous insects Flügel GmbH (DE) 2015-06-03 EP disclosed