SCHEMBL25008380

SCHEMBL25008380

CCCCC(CC=O)c1nc(C(C)=O)c[nH]1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL25008021 0.88
SCHEMBL25008047 0.79 GPR84 (0.42) ALDH1A1
SCHEMBL15332655 0.68 TSHR (0.33)
SCHEMBL25007239 0.65 GPR84 (0.42) ALDH1A1
SCHEMBL23415837 0.64 GPR84 (0.44) ALDH1A1
SCHEMBL23415802 0.64 GPR84 (0.44) ALDH1A1
SCHEMBL23415846 0.64 GPR84 (0.44) ALDH1A1
SCHEMBL25334303 0.63 NR1I2 (0.43)
SCHEMBL31339081 0.63 CA2 (0.47)
SCHEMBL27717599 0.62 ESR1 (0.47) ALDH1A1

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-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed