SCHEMBL3229542

SCHEMBL3229542

CC(C)(O)C(C)(C)OB(O)c1ccccc1CC#N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LIPG Q9Y5X9 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
SCHEMBL668320 0.81 SLC6A4 (0.33) ALDH1A1LIPG
SCHEMBL580069 0.81 LIPG (0.33) LIPG
SCHEMBL840344 0.78 TSHR (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL9274789 0.77 TSHR (0.36)
SCHEMBL29489866 0.76 LIPG (0.48) ALDH1A1HPGDLIPG
SCHEMBL2340536 0.76 LIPG (0.48) ALDH1A1HPGDLIPG
SCHEMBL14645439 0.75 KDM4E (0.37) ALDH1A1
SCHEMBL5899432 0.75 TSHR (0.36) ALDH1A1HPGD
SCHEMBL3234120 0.74 ENPP2 (0.37) LIPG
SCHEMBL22684752 0.73 ENPP2 (0.33)

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed