SCHEMBL23829596

SCHEMBL23829596

CC(=O)ONC(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
MAPT P10636 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
SCHEMBL23829595 1.00 ALDH1A1 (0.36) ALDH1A1TSHRTP53SMN1; SMN2RAB9A
SCHEMBL3208445 0.78 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2
SCHEMBL28115869 0.78 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2
SCHEMBL31261500 0.76 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2
SCHEMBL8847013 0.76
SCHEMBL9422457 0.74
SCHEMBL64551 0.74
SCHEMBL64552 0.74
SCHEMBL23829650 0.72
SCHEMBL7749477 0.72

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
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed