SCHEMBL23923263

SCHEMBL23923263

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.31
PDE4A P27815 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
SCHEMBL23923261 1.00 TSHR (0.32) TSHRALDH1A1TDP1CYP2C9PDE4A
SCHEMBL3922086 0.81 TSHR (0.35) TSHRALDH1A1CYP2C9PDE4A
SCHEMBL28912115 0.81 TSHR (0.35) TSHRALDH1A1CYP2C9PDE4A
SCHEMBL32679655 0.81 TSHR (0.39) TSHRTDP1
SCHEMBL17866857 0.76 TSHR (0.34) TSHRALDH1A1CYP2C9PDE4A
SCHEMBL31612302 0.76 TSHR (0.42) TSHRTDP1
Glucuronic Acid SCHEMBL27953849 0.76 PDE4A (0.43) TSHRALDH1A1CYP2C9PDE4A
Glucuronic Acid SCHEMBL21518782 0.76 PDE4A (0.43) TSHRALDH1A1CYP2C9PDE4A
Glucuronic Acid SCHEMBL1950297 0.76 PDE4A (0.43) TSHRALDH1A1CYP2C9PDE4A
Glucuronic Acid SCHEMBL25379090 0.76 PDE4A (0.36) TSHRALDH1A1CYP2C9PDE4A

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
EP-3895710-A1 FOOD AND/OR FEED COMPOSITIONS TO MANAGE IMMUNE HOMEOSTASIS DSM IP Assets B.V. (NL) 2021-10-20 EP disclosed