SCHEMBL29957749

SCHEMBL29957749

CCN(CC)Cc1ccc(B(O)O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
GLA P06280 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL1942294 0.81 ACHE (0.50)
SCHEMBL4446207 0.78 LIPG (0.37) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL21101670 0.75 LIPG (0.41) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7400838 0.75 ALDH1A1 (0.47) POLBGLAALDH1A1KDM4EMAPT
SCHEMBL13348016 0.74 POLB (0.47) POLBGLAALDH1A1KDM4EMAPT
SCHEMBL8633227 0.72 POLB (0.71) POLBGLAALDH1A1MAPTHRH3
SCHEMBL29957102 0.72 CA1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4450495 0.71 ALDH1A1 (0.43) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10747863 0.71 POLB (0.44) POLBGLAALDH1A1KDM4EMAPT
SCHEMBL13312634 0.68 POLB (0.42) POLBGLAALDH1A1KDM4EMAPT

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