SCHEMBL21133591

SCHEMBL21133591

CC(COC(=O)C(C)(C)Br)C(=O)OCC1COC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31

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
SCHEMBL22042801 0.79 CA2 (0.41)
SCHEMBL19018398 0.77 GRM4 (0.34) GRM4USP2TSHRNPY1RNPY2R
SCHEMBL24179939 0.69 MMP8 (0.38) TSHR
SCHEMBL19263663 0.67 PRKCA (0.35)
SCHEMBL2551899 0.66 PRKCA (0.35)
SCHEMBL106425 0.65 CA2 (0.48)
SCHEMBL21732967 0.65 KDM4E (0.37) TSHR
SCHEMBL21441721 0.65 PRKCA (0.30) TSHR
SCHEMBL19263665 0.65 PRKCA (0.33)
SCHEMBL13641645 0.64 HMGCR (0.36)

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
EP-2558538-B1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS KODIAK SCIENCES INC (US) 2019-07-03 EP disclosed