SCHEMBL22844646

SCHEMBL22844646

CC(=O)OCC1=C(C(=O)OCC(C)C)N2C(=O)C(C[C@@H](C)O[Si](C)(C)C(C)(C)C)C2S1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.35
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL25607702 0.86 ELANE (0.41) ELANETSHRKDM4EHSD17B10TDP1
SCHEMBL23258105 0.86 ELANE (0.41) ELANETSHRKDM4EHSD17B10TDP1
SCHEMBL22844838 0.77
SCHEMBL25607895 0.76 ELANE (0.47) ELANETSHRKDM4EHSD17B10TDP1
SCHEMBL22844647 0.76 ELANE (0.47) ELANETSHRKDM4EHSD17B10TDP1
SCHEMBL25601308 0.76 ELANE (0.45) ELANE
SCHEMBL22844652 0.74 ELANE (0.41) ELANETSHRALDH1A1HPGDNPSR1
SCHEMBL22844659 0.74 ELANE (0.41) ELANETSHRALDH1A1HPGDNPSR1
SCHEMBL25607704 0.74 ELANE (0.41) ELANETSHRALDH1A1HPGDNPSR1
SCHEMBL25607708 0.74 ELANE (0.41) ELANETSHRALDH1A1HPGDNPSR1

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
WO-2020263975-A1 BETA-LACTAM-CANNABINOID CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2020-12-30 WO disclosed