SCHEMBL21782823

SCHEMBL21782823

CC1OC(C=O)C(O)C1O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
FUCA1 P04066 2/20 0.33
AHCY P23526 2/20 0.31
M6PR P20645 1/20 0.30

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
SCHEMBL16327272 0.98 CA2 (0.38) CA9CA12CA2FUCA1AHCY
SCHEMBL13699579 0.98 CA2 (0.38) CA9CA12CA2FUCA1AHCY
SCHEMBL13498556 0.98 CA2 (0.38) CA9CA12CA2FUCA1AHCY
SCHEMBL13887631 0.98 CA2 (0.38) CA9CA12CA2FUCA1AHCY
SCHEMBL24599501 0.86 CA9 (0.33) CA9CA12CA2FUCA1
SCHEMBL12900024 0.78 M6PR (0.33) CA9CA12CA2M6PR
SCHEMBL19401511 0.76 M6PR (0.33) M6PR
SCHEMBL12899760 0.75 FUCA1 (0.33) CA9CA12CA2FUCA1
SCHEMBL16556765 0.75 FUCA1 (0.33) CA9CA12CA2FUCA1
SCHEMBL16076954 0.75 ALDH1A1 (0.34) FUCA1

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-3029041-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2020-03-04 EP disclosed