SCHEMBL29951248

SCHEMBL29951248

Cc1c(CO)ccc(B(O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
LIPG Q9Y5X9 2/20 0.31
CA2 P00918 1/20 0.31
LPL P06858 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
SCHEMBL13199168 0.83 PDCD1 (0.50) PDCD1CD274
SCHEMBL12707641 0.82 LIPG (0.37) LIPGCA2LPL
SCHEMBL5840438 0.80 PDCD1 (0.52) PDCD1CD274LIPG
SCHEMBL1690451 0.80 CA2 (0.30) LIPGCA2LPL
SCHEMBL3938364 0.80 CA2 (0.43) LIPGCA2LPL
SCHEMBL16687419 0.78 PDCD1 (0.37) PDCD1CD274CA2
SCHEMBL358606 0.73 PDCD1 (0.43) PDCD1CD274
SCHEMBL3468895 0.71 TYR (0.42) PDCD1CD274
Phosphine SCHEMBL3840466 0.71 PDCD1 (0.42) PDCD1CD274
Ammonia Solution, Strong SCHEMBL439692 0.71 PDCD1 (0.42) PDCD1CD274

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed