SCHEMBL1823767

SCHEMBL1823767

CCOC(=O)CC(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 6/20 0.43
TRPA1 O75762 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
CHRM1 P11229 2/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL4755497 1.00 MGAM (0.46) MGAMGAASIMGAM2CA2
SCHEMBL6265890 0.91 MGAM (0.50) MGAMGAASIMGAM2CA2
SCHEMBL7767241 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1853675 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6868422 0.84 MGAM (0.48) MGAMGAASIMGAM2CA2
SCHEMBL9203447 0.84 MGAM (0.48) MGAMGAASIMGAM2CA2
SCHEMBL454062 0.83 TDP1 (0.58) MGAMGAASIMGAM2CA2
SCHEMBL5151190 0.83 CA2 (0.45) CA2MAPK1ALDH1A1SLC1A3SLC1A2
SCHEMBL3020467 0.83 MGAM (0.43) MGAMGAASIMGAM2CA2
SCHEMBL9752041 0.83 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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
WO-2011057327-A1 ANTI-INFLAMMATORY EXTRACT UNIVERSITY OF SOUTH AUSTRALIA (AU) 2011-05-19 WO disclosed
EP-0091036-A2 Process for the preparation of white graft polymer dispersions and flame-retardant polyurethane foams BASF Corporation (US) 1983-10-12 EP disclosed