SCHEMBL28215928

SCHEMBL28215928

CC(S)C(=O)O.OCCCC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
ACE P12821 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
GSTK1 Q9Y2Q3 2/20 0.31
BLM P54132 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
SCHEMBL11357862 0.87 ALDH1A1 (0.38) ALDH1A1LMNATDP1CHRM1AKR1A1
Lactic Acid SCHEMBL3674424 0.85 TP53 (0.48) ALDH1A1LMNATDP1CHRM1AKR1A1
Acetic Acid SCHEMBL540581 0.82 ALDH1A1 (0.41) ALDH1A1LMNATDP1CHRM1AKR1A1
Acetic Acid SCHEMBL3683183 0.82 ALDH1A1 (0.41) ALDH1A1LMNATDP1CHRM1AKR1A1
SCHEMBL30122645 0.82 RNPEP (0.44) RNPEPALDH1A1LMNATDP1ACE
1,4-Butanediol SCHEMBL4449579 0.82 RNPEP (0.44) RNPEPALDH1A1LMNATDP1ACE
Bicarbonate SCHEMBL1357296 0.82 CAMK2A (0.39) ALDH1A1LMNATDP1CHRM1AKR1A1
SCHEMBL4451898 0.80 GPR84 (0.46) RNPEPALDH1A1LMNATDP1ACE
Oxalic Acid SCHEMBL28437633 0.80 CAMK2A (0.38) ALDH1A1LMNAGSTK1OR51E2CAMK2A
SCHEMBL11652779 0.79 ALDH1A1 (0.32) ALDH1A1LMNATDP1CHRM1AKR1A1

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
CN-108026491-A Cleaning composition 富士胶片电子材料美国有限公司 2018-05-11 CN disclosed