SCHEMBL22564565

SCHEMBL22564565

CC1C(O)CCCC1CN

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
PTGS1 P23219 7/20 0.33
PTGS2 P35354 6/20 0.33
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 1/20 0.33
MAN1B1 Q9UKM7 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
SCHEMBL22978084 0.86
SCHEMBL2520234 0.80
SCHEMBL18071031 0.80
SCHEMBL2520237 0.80
SCHEMBL2521937 0.80
SCHEMBL20124555 0.80 SHBG (0.31) MAN1B1
SCHEMBL16705451 0.79 CA1 (0.39) CA1CA2CA4PTGS1PTGS2
SCHEMBL12166760 0.79 CA1 (0.46) CA1CA2CA4PTGS1PTGS2
Hydrochloric Acid SCHEMBL14861581 0.78
SCHEMBL12167126 0.76 JAK2 (0.30)

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-3725310-A1 USE OF PHARMACOLOGICAL CHAPERONES FOR THE TREATMENT OF LYSOSOMAL STORAGE DISEASES Fundación Biomédica Galicia Sur (ES) 2020-10-21 EP disclosed