SCHEMBL29956693

SCHEMBL29956693

COc1cc(B(O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
TRPA1 O75762 1/20 0.48
TRIM24 O15164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
HTT P42858 1/20 0.48
CA2 P00918 3/20 0.48
ENPP2 Q13822 2/20 0.48
CA1 P00915 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
NR3C1 P04150 2/20 0.47

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
SCHEMBL11322 1.00 MAOB (0.57) MAOBSLC22A6SLC22A8MEN1RAB9A
SCHEMBL3484229 0.83 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CA2ENPP2
SCHEMBL23114 0.83 ENPP2 (0.52) ALDH1A1HPGDCA2ENPP2CA1
SCHEMBL25173988 0.81 ENPP2 (0.54) CA2ENPP2CA1
SCHEMBL23051 0.79 ENPP2 (0.48) CA2ENPP2CA1
SCHEMBL29023613 0.78 TUBB1 (0.53) SLC22A6SLC22A8
SCHEMBL1018126 0.78 ENPP2 (0.49) MEN1KMT2AALDH1A1HPGDCA2
SCHEMBL8080504 0.78 ENPP2 (0.47) ALDH1A1CA2ENPP2CA1TSHR
SCHEMBL723787 0.78 ALDH1A1 (0.55) ALDH1A1TDP1HTTCA2ENPP2
SCHEMBL29427154 0.78 ENPP2 (0.47) RAB9AHTTCA2ENPP2CA1

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
CN-115974828-B Compounds as protein phosphatase 5 agonists, methods of preparation and uses thereof 中国药科大学 2025-02-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed