SCHEMBL28344100

SCHEMBL28344100

CCCOCC(=O)C(OCCC)(OCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL28373334 0.85 CES2 (0.51) CES2HDAC1HDAC2
SCHEMBL4622979 0.81 CES2 (0.40) CES2
SCHEMBL6138567 0.79 CES2 (0.38) CES2
SCHEMBL16320556 0.79 CES2 (0.38) CES2
SCHEMBL108938 0.77 CES2 (0.42) CES2LMNA
SCHEMBL109458 0.77 CES2 (0.42) CES2LMNA
SCHEMBL107316 0.77 CES2 (0.42) CES2LMNA
SCHEMBL3305154 0.77 CES2 (0.39) CES2
SCHEMBL295696 0.74
SCHEMBL14694346 0.73 ALDH1A1 (0.34) CES2

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-110117365-B Modified polymethylsiloxane, modified high-cis conjugated diene polymer, method for producing same, rubber composition, and tire 奇美实业股份有限公司 2021-12-14 CN disclosed
CN-110540687-A Rubber composition for tire and pneumatic tire SUMITOMO RUBBER IND 2019-12-06 CN disclosed