SCHEMBL30569110

SCHEMBL30569110

O=C(O)CC1=COC=CN1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.35

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
SCHEMBL26110937 0.68
SCHEMBL30910833 0.68
SCHEMBL8190882 0.63 AKR1B1 (0.38) AKR1B1
SCHEMBL14861696 0.57
SCHEMBL24664708 0.55
SCHEMBL10583146 0.54
SCHEMBL8924542 0.54 ALDH1A1 (0.33) AKR1B1
SCHEMBL20718281 0.54
SCHEMBL8645186 0.53 AKR1B1 (0.48) AKR1B1
Phenylacetic Acid SCHEMBL9449909 0.53 AKR1B1 (1.00) AKR1B1

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
WO-2023186069-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-10-05 WO disclosed