SCHEMBL24469715

SCHEMBL24469715

CC(C)(O)C(C1CC1)N1Cc2cccc(B(O)O)c2C1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 12/20 0.59
NR1I2 O75469 9/20 0.56
PARP2 Q9UGN5 4/20 0.34
PARP1 P09874 3/20 0.34
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33

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
SCHEMBL24469605 1.00 UGCG (0.59) UGCGNR1I2PARP2PARP1DPP4
SCHEMBL30830107 0.85 UGCG (0.61) UGCGNR1I2PARP2PARP1DPP4
SCHEMBL29606253 0.85 UGCG (0.61) UGCGNR1I2PARP2PARP1
SCHEMBL29606133 0.85 UGCG (0.61) UGCGNR1I2PARP2PARP1DPP4
SCHEMBL29606499 0.85 UGCG (0.61) UGCGNR1I2PARP2PARP1
SCHEMBL24469465 0.85 UGCG (0.61) UGCGNR1I2PARP2PARP1
SCHEMBL24469664 0.85 UGCG (0.61) UGCGNR1I2PARP2PARP1
SCHEMBL24469532 0.84 UGCG (0.67) UGCGNR1I2
SCHEMBL24469537 0.84 UGCG (0.67) UGCGNR1I2
SCHEMBL29606305 0.84 UGCG (0.60) UGCGNR1I2PARP2PARP1DPP4

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-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO disclosed