SCHEMBL21189731

SCHEMBL21189731

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21177631 0.96 POLB (0.54) POLBALDH1A1KDM4EGAAKMT2A
SCHEMBL9886021 0.91 KDM4E (0.52) POLBALDH1A1KDM4EGAAKMT2A
SCHEMBL21189459 0.91 KMT2A (0.53) POLBALDH1A1GAAKMT2ANPC1
SCHEMBL21812892 0.84 L3MBTL3 (0.44) POLBALDH1A1GAAKMT2ANPC1
SCHEMBL18274844 0.83 CNR1 (0.46) POLBALDH1A1KDM4EKMT2AGLA
SCHEMBL14644842 0.83 MAPT (0.48) ALDH1A1KDM4EMAPTHTT
SCHEMBL21177182 0.83 POLB (0.39) POLBALDH1A1KDM4EGAAKMT2A
SCHEMBL21177371 0.83 POLB (0.39) POLBALDH1A1KDM4EGAA
SCHEMBL21177373 0.83 POLB (0.39) POLBALDH1A1KDM4EGAA
SCHEMBL21177388 0.82 RAB9A (0.41) POLBALDH1A1GAAKMT2ANPC1

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed