SCHEMBL29953673

SCHEMBL29953673

CC(C)(C)OC(=O)c1ncccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
METAP1 P53582 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4437878 0.81 L3MBTL1 (0.58) POLBL3MBTL1ALDH1A1KDM4ECYP3A4
SCHEMBL5376069 0.80 TLR7 (0.45) POLBMETAP1L3MBTL1ALDH1A1LMNA
SCHEMBL30441012 0.80 KDM4E (0.46) POLBMETAP1L3MBTL1ALDH1A1LMNA
SCHEMBL28085307 0.80 L3MBTL1 (0.41) POLBMETAP1L3MBTL1ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL28013995 0.79 KDM4E (0.44) POLBMETAP1L3MBTL1ALDH1A1LMNA
SCHEMBL21358025 0.79 GABRA1 (0.42) POLBMETAP1L3MBTL1ALDH1A1LMNA
SCHEMBL2414354 0.79 POLB (0.44) POLBMETAP1L3MBTL1ALDH1A1LMNA
SCHEMBL27593401 0.79 GRM4 (0.41) POLBMETAP1L3MBTL1ALDH1A1LMNA
SCHEMBL30322596 0.79 L3MBTL1 (0.41) POLBMETAP1L3MBTL1ALDH1A1LMNA
Tert-Butanol SCHEMBL25377982 0.77 KDM4E (0.43) POLBMETAP1L3MBTL1ALDH1A1LMNA

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