SCHEMBL13752017

SCHEMBL13752017

C=C1COC2(OCc3ccccc32)O1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRD1 P41143 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL28824800 0.81 SIGMAR1 (0.36) AVPR1ASIGMAR1OPRD1SLC6A4
SCHEMBL7912523 0.79 SIGMAR1 (0.36) SIGMAR1OPRD1SLC6A4
SCHEMBL23117178 0.75 SIGMAR1 (0.31) SIGMAR1
SCHEMBL28600721 0.72 SIGMAR1 (0.40) AVPR1ASIGMAR1OPRD1
SCHEMBL30869312 0.68 HTR2A (0.41) SIGMAR1SLC6A4
SCHEMBL9420013 0.68 SIGMAR1 (0.36) SIGMAR1OPRD1SLC6A4
SCHEMBL9615977 0.68 SIGMAR1 (0.54) AVPR1ASIGMAR1OPRD1
SCHEMBL25129913 0.68 SIGMAR1 (0.40) AVPR1ASIGMAR1OPRD1SLC6A4
SCHEMBL2619379 0.68 HTR2A (0.41) SIGMAR1SLC6A4
SCHEMBL5685203 0.68 OPRD1 (0.37) SIGMAR1OPRD1SLC6A4

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-20090195847-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-08-06 US disclosed
US-20090195847-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-08-06 US disclosed