SCHEMBL20168559

SCHEMBL20168559

CCOC(=O)CC(=O)OCC[C@H]1CCCC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALOX15 P16050 1/20 0.34
EPHX2 P34913 9/20 0.33
ALDH1A1 P00352 2/20 0.33
ARG1 P05089 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 2/20 0.32
SMYD3 Q9H7B4 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
SCHEMBL233612 1.00 MGAM (0.42) MGAMGAASIMGAM2ALOX15
SCHEMBL25341709 0.94 NAAA (0.34) MGAMGAASIMGAM2ARG1
SCHEMBL25341713 0.87 ARG1 (0.34) GAAARG1NAAA
SCHEMBL12332968 0.86 MGAM (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL17629469 0.82 NAAA (0.32) ARG1NAAA
SCHEMBL30013264 0.82 NAAA (0.32) ARG1NAAA
SCHEMBL6870122 0.82 NAAA (0.32) ARG1NAAA
SCHEMBL756557 0.81 ARG1 (0.34) GAAALDH1A1ARG1NAAA
SCHEMBL23824765 0.81 ALDH1A1 (0.36) MGAMGAASIMGAM2EPHX2
SCHEMBL6869259 0.80 MEN1 (0.33) EPHX2ALDH1A1TDP1

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-3541355-A1 MALODOR COUNTERACTANT COMPOSITION AND METHODS Bell Flavors And Fragrances, Inc. (US) 2019-09-25 EP claimed
WO-2018094314-A1 MALODOR COUNTERACTANT COMPOSITION AND METHODS BELL FLAVORS & FRAGRANCES, INC. (US) 2018-05-24 WO claimed