SCHEMBL28822104

SCHEMBL28822104

O=CC(=O)C1CCCOCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL27496040 0.88 CES2 (0.41) MAPTCES2CES1
SCHEMBL28131131 0.83 HDAC3 (0.34) CES2CES1
SCHEMBL14905737 0.79
SCHEMBL3628732 0.79
SCHEMBL27364095 0.78
SCHEMBL336086 0.77 CES2 (0.52) CES2CES1
SCHEMBL22325773 0.76 TSHR (0.46) CES2CES1KDM4E
Water SCHEMBL11679290 0.75 CES2 (0.50) CES2CES1
Water SCHEMBL11679288 0.75 CES2 (0.50) CES2CES1
SCHEMBL16612025 0.74 MAPT (0.42) MAPTCES2CES1KDM4E

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
CN-105017538-A Degradable shape memory high polymer material of regular network structure and preparation method therefor CHENGDU ORGANIC CHEMICALS CO 2015-11-04 CN claimed
CN-105017538-A Degradable shape memory high polymer material of regular network structure and preparation method therefor CHENGDU ORGANIC CHEMICALS CO 2015-11-04 CN disclosed