SCHEMBL16016386

SCHEMBL16016386

C=C(C)C(=O)OC1(C)CC2CC(C)C[C@H](C2)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.30
GLA P06280 1/20 0.30
NAAA Q02083 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
SCHEMBL25120521 1.00 SCN1A (0.36) SCN1ASCN2ASCN3AALDH1A1EPHX1
SCHEMBL11230563 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL26082480 0.84 APLNR (0.36) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL19924306 0.83 SCN1A (0.36) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL25008191 0.83 SCN1A (0.37) SCN1ASCN2ASCN3AALDH1A1EPHX1
SCHEMBL22360346 0.80 EPHX2 (0.32) ALDH1A1
SCHEMBL13188519 0.79
SCHEMBL21237737 0.78 SCN1A (0.30) SCN1ASCN2ASCN3A
SCHEMBL25518517 0.78 ALDH1A1 (0.31) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL25477401 0.78 NAAA (0.36) ALDH1A1NAAA

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-2216378-B1 Nonaqueous ink, image-recording method, image-recording apparatus and recorded article FUJIFILM CORP (JP) 2014-09-10 EP disclosed