SCHEMBL28564950

SCHEMBL28564950

CC(=O)OCCCC(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HTR2C P28335 1/20 0.50
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40

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
SCHEMBL28353125 0.86 LMNA (0.45) ALDH1A1HTR2CLMNAKDM4ECHRM5
SCHEMBL6066578 0.84 ALDH1A1 (0.58) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL4230636 0.80 ALDH1A1 (0.60) ALDH1A1HTR2CLMNACHRM5CHRM1
SCHEMBL7772852 0.79 ALDH1A1 (0.58) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL22897374 0.78 ALDH1A1 (0.52) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL305496 0.77 ALDH1A1 (0.61) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL114691 0.77
SCHEMBL1323968 0.77 GABRR1 (0.46) HTR2CLMNAKDM4ETSHRGABRR1
SCHEMBL189930 0.75 ALDH1A1 (0.74) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL315271 0.75 ALDH1A1 (0.74) ALDH1A1LMNACHRM5CHRM1CHRM3

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-110137564-B Preparation method of porous solid electrolyte for lithium ion battery 中国科学院合肥物质科学研究院 2021-08-10 CN disclosed
CN-110098434-B Electrode-electrolyte double-layer flat block material in all-solid-state lithium battery and preparation method thereof 中国科学院合肥物质科学研究院 2021-04-27 CN disclosed