SCHEMBL28344099

SCHEMBL28344099

CCCOC(OCCC)(OCCC)C(=O)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MLNR O43193 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
OPRM1 P35372 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
SCHEMBL15510314 0.88 ALDH1A1 (0.39) HCAR2ALDH1A1AKR1B1KMT2A
SCHEMBL4484178 0.86 ALDH1A1 (0.38) HCAR2ALDH1A1AKR1B1KMT2A
SCHEMBL21957639 0.83 MGAM (0.36) LMNAGAAALDH1A1
SCHEMBL28338641 0.81 MGAM (0.34) GAAALDH1A1
SCHEMBL29761906 0.81 MGAM (0.34) GAAALDH1A1
SCHEMBL28344224 0.79 CA4 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10670452 0.75 LMNA (0.38) LMNAFFAR3HDAC3HDAC1HDAC2
SCHEMBL19025405 0.71 LMNA (0.35) LMNAHCAR2ALDH1A1KMT2A
SCHEMBL23175274 0.69 ALDH1A1 (0.42) GAAALDH1A1
SCHEMBL28426703 0.69 HMGCR (0.32) LMNAFFAR3HDAC3HDAC1HDAC2

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