SCHEMBL21596598

SCHEMBL21596598

CC1(C)CCC[C@H](CCO)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.33
UGT2B7 P16662 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ESR2 Q92731 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
SCHEMBL832963 1.00 ARG1 (0.33) ARG1UGT2B7IDO1TDO2ESR2
SCHEMBL26626023 0.87 ARG1 (0.33) ARG1UGT2B7
SCHEMBL13742190 0.83 APLNR (0.36) UGT2B7IDO1TDO2
SCHEMBL6944623 0.81 CYP1A2 (0.37) ARG1IDO1TDO2
SCHEMBL17824293 0.79 ARG1 (0.33) ARG1IDO1TDO2
SCHEMBL27928439 0.79 GAA (0.40) ARG1IDO1TDO2
SCHEMBL28346473 0.78 IDO1 (0.33) IDO1TDO2
SCHEMBL6936693 0.76
SCHEMBL9680 0.76 ARG1 (0.39) ARG1
SCHEMBL2474412 0.76 CYP2D6 (0.33) IDO1TDO2

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-3746420-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2020-12-09 EP disclosed
WO-2019243501-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2019-12-26 WO disclosed