SCHEMBL25004681

SCHEMBL25004681

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
TP53 P04637 1/20 0.38
PGD P52209 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
SLC7A5 Q01650 1/20 0.32
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 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
Cadaverine Tartrate SCHEMBL30041704 0.89 TSHR (0.56) TSHRTP53PGDALDH1A1MAPT
SCHEMBL1604917 0.82 ALDH1A1 (0.39) TSHRTP53ALDH1A1MAPTPTGS1
SCHEMBL24068013 0.81 TSHR (0.45) TSHRTP53PGDALDH1A1MAPT
SCHEMBL607502 0.78 TP53 (0.45) TSHRTP53ALDH1A1MAPTPTGS1
SCHEMBL607505 0.78 TP53 (0.45) TSHRTP53ALDH1A1MAPTPTGS1
SCHEMBL13542998 0.77 TP53 (0.42) TSHRTP53ALDH1A1MAPTPTGS1
SCHEMBL5514917 0.77 TP53 (0.42) TSHRTP53ALDH1A1MAPTPTGS1
SCHEMBL4839860 0.74 ALDH1A1 (0.35) TSHRTP53ALDH1A1MAPTPTGS1
SCHEMBL7123845 0.74 TSHR (0.50) TSHRTP53PGDALDH1A1MAPT
SCHEMBL22355731 0.72 TP53 (0.38) TSHRTP53ALDH1A1MAPTPTGS1

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-20230042669-A1 AUTOMATIC DISHWASHING COMPOSITION RECKITT BENCKISER FINISH B.V. (NL) 2023-02-09 US disclosed