SCHEMBL8750317

SCHEMBL8750317

O=Cc1sccc1B(O)O.[Li]CCCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL8750311 0.75 MEN1 (0.35) MEN1KMT2ALMNA
SCHEMBL6819727 0.67 TYR (0.38) MEN1KMT2ALMNACA2
Alcohol SCHEMBL28340147 0.66 CYP2A6 (0.36) MEN1KMT2ALMNACA1CA2
SCHEMBL18825997 0.66 HIF1A (0.40) MEN1KMT2ALIPGGPR35
SCHEMBL18826032 0.65 HIF1A (0.42) MEN1KMT2ALIPGGPR35
SCHEMBL2146038 0.65 HIF1A (0.42) MEN1KMT2ALIPGGPR35
SCHEMBL10301447 0.65 HIF1A (0.42) MEN1KMT2ALIPGGPR35
SCHEMBL18825900 0.65 HIF1A (0.42) MEN1KMT2ALIPGGPR35
SCHEMBL18826026 0.65 HIF1A (0.42) MEN1KMT2ALIPGGPR35
SCHEMBL820018 0.65 HIF1A (0.42) MEN1KMT2ALIPGGPR35

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765331-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1997-04-02 EP disclosed
WO-1995033754-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed