SCHEMBL11272138

SCHEMBL11272138

CC(=O)C(NC(C)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KISS1R Q969F8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL28640142 0.87 TP53 (0.47) TP53ALDH1A1TSHR
SCHEMBL19210045 0.79 TP53 (0.36) TP53
Acetic Acid SCHEMBL1831396 0.75 FFAR3 (0.47) TP53KISS1RALDH1A1TSHR
SCHEMBL21242871 0.74
Lactic Acid SCHEMBL1832719 0.73 TP53 (0.69) TP53ALDH1A1TSHR
Bicarbonate SCHEMBL1832823 0.72 TP53 (0.47) TP53ALDH1A1TSHR
Pyruvate SCHEMBL1837949 0.70 TP53 (0.40) TP53KISS1RALDH1A1TSHR
Cadaverine Tartrate SCHEMBL1835488 0.70 TSHR (0.59) TP53ALDH1A1TSHR
SCHEMBL3711245 0.70
Methylmalonic Acid SCHEMBL5874135 0.70 TP53 (0.47) TP53TSHR

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-4339383-A Imide containing stabilizers for chlorinated thermoplastics CIBA-GEIGY CORPORATION (US) 1982-07-13 US disclosed