SCHEMBL21769972

SCHEMBL21769972

CSc1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PRKCI P41743 1/20 0.43
IDO1 P14902 1/20 0.41
KIF11 P52732 1/20 0.40
PTGS2 P35354 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
PDK2 Q15119 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37

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
SCHEMBL21363123 0.84 BCL2 (0.44) IDO1PTGS2FFAR4MEN1KMT2A
SCHEMBL8993689 0.83 PTGS2 (0.50) MKNK1MKNK2IDO1PTGS2PDCD1
SCHEMBL29899606 0.79 ENPP2 (0.45) PRKCIMEN1KMT2AMAPT
SCHEMBL95655 0.79 ENPP2 (0.45) PRKCIMEN1KMT2AMAPT
SCHEMBL30849630 0.78 IDO1 (0.50) IDO1KIF11PTGS2MEN1KMT2A
SCHEMBL3480820 0.78 IDO1 (0.50) IDO1KIF11PTGS2MEN1KMT2A
SCHEMBL12947919 0.77 IDO1 (0.46) IDO1PTGS2MEN1KMT2AMAPT
SCHEMBL16578698 0.77 PRKCI (0.68) MKNK1MKNK2PRKCIKIF11MEN1
SCHEMBL13525205 0.76 HDAC8 (0.50) MKNK1MKNK2PRKCIKIF11PDCD1
SCHEMBL970462 0.76 ALDH1A1 (0.48) IDO1PTGS2MEN1KMT2AMAPT

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-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed