SCHEMBL27698358

SCHEMBL27698358

O=C(O)CCNC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ADRA1A P35348 2/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ACLY P53396 3/20 0.34
PRMT1 Q99873 1/20 0.34
LMNA P02545 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
ECE1 P42892 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
CPT2 P23786 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4989276 1.00 ALDH1A1 (0.41) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL4998219 0.79 ALDH1A1 (0.46) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL4998223 0.79 ALDH1A1 (0.46) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL7192048 0.76 ALDH1A1 (0.52) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL2916476 0.76 ALDH1A1 (0.42) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL3177898 0.72 NAALAD2 (0.47) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL7566798 0.72 LMNA (0.40) ADRA1ATSHRPRMT1LMNAEGLN1
SCHEMBL11284962 0.71 ADRA1A (0.38) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL11512604 0.70 ADRA1A (0.40) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R
SCHEMBL10800659 0.70 ADRA1A (0.40) ALDH1A1ADRA1AHMGCRCHRM1TBXA2R

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-101143229-A Water-absorbing agent and body liquid absorbing production NIPPON CATALYTIC CHEM IND (JP) 2008-03-19 CN claimed
CN-101143229-A Water-absorbing agent and body liquid absorbing production NIPPON CATALYTIC CHEM IND (JP) 2008-03-19 CN disclosed