SCHEMBL28816152

SCHEMBL28816152

C=C(C)C(=O)OO.O=C(O)CNCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
EGLN1 Q9GZT9 3/20 0.38
TSHR P16473 4/20 0.36
CTH P32929 1/20 0.34
THRB P10828 1/20 0.34
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
LMNA P02545 1/20 0.31
SLC15A2 Q16348 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
Succinic Acid SCHEMBL27832697 0.85 LMNA (0.46) ALDH1A1EGLN1TSHRTHRBKDM4E
Acetoacetic Acid SCHEMBL28138713 0.81 ALDH1A1 (0.46) ALDH1A1EGLN1TSHRTHRBKDM4E
Propionic Acid SCHEMBL28858879 0.80 FFAR3 (0.48) ALDH1A1TSHRTHRB
Methacrylic Acid SCHEMBL28462494 0.80 CTH (0.41) ALDH1A1EGLN1TSHRCTHKDM4E
Acetic Acid SCHEMBL27477221 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTHRB
SCHEMBL28195391 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTHRBLMNA
SCHEMBL8767405 0.79 ALDH1A1 (0.58) ALDH1A1TSHRTHRBLMNA
SCHEMBL179937 0.79
Mercaptopropionic Acid SCHEMBL27418291 0.78 ACE (0.40) ALDH1A1EGLN1TSHRTHRBKDM4E
Propane SCHEMBL28822763 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTHRBLMNA

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-104220468-A Superabsorbent copolymers EVONIK CORP 2014-12-17 CN disclosed