SCHEMBL29955063

SCHEMBL29955063

CN(Cc1ccccc1B(O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
HSD17B3 P37058 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL13738402 0.86 RXRA (0.42) LIPGHPGDMEN1KMT2A
SCHEMBL29955523 0.84 RECQL (0.41) LIPGKDM4EALDH1A1LMNAHPGD
SCHEMBL13737929 0.82 PPARA (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL29951079 0.80 HSD17B3 (0.39) HSD17B3TAAR1NR1H2NR1H3KDM4E
SCHEMBL4537 0.80 LIPG (0.50) LIPGKDM4EALDH1A1LMNAMEN1
SCHEMBL29504654 0.80 LIPG (0.50) LIPGKDM4EALDH1A1LMNAMEN1
SCHEMBL257893 0.80 HSD17B3 (0.41) HSD17B3TAAR1CRHBPCRHR2NR1H2
SCHEMBL15780772 0.79 ALDH1A1 (0.44) CA12CA2CA9KDM4EALDH1A1
SCHEMBL29950775 0.79 TSHR (0.55) LIPGTAAR1NR1H2NR1H3KDM4E
SCHEMBL14753645 0.77 LIPG (0.47) LIPGKDM4EALDH1A1LIPE

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