SCHEMBL22032049

SCHEMBL22032049

CCC(C)(O)CCCC1=CCC(C=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36

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
Lyral SCHEMBL112060 0.87 CES2 (0.39) CES2
Lyral SCHEMBL30754376 0.87 CES2 (0.39) CES2
Lyral SCHEMBL20605413 0.87 CES2 (0.39) CES2
Lyral SCHEMBL28150914 0.86 CES2 (0.38) CES2
SCHEMBL5019006 0.81 CES2 (0.41) CES2
Lyral SCHEMBL21001046 0.79 CES2 (0.33) CES2
Lyral SCHEMBL5986927 0.79 MEN1 (0.44) CES2
Lyral SCHEMBL28856436 0.77 CES2 (0.38) CES2
Lyral SCHEMBL30636637 0.77 CES2 (0.37) CES2
Lyral SCHEMBL26622234 0.73 ALDH1A1 (0.39)

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-3890838-A1 MICROCAPSULES Symrise AG (DE) 2021-10-13 EP disclosed
WO-2020114975-A1 MICROCAPSULES SYMRISE AG (DE) 2020-06-11 WO disclosed