SCHEMBL8713936

SCHEMBL8713936

CC(C)C[C@H](N)B(O)O.C[C@@H](C(=O)O)N(C(=O)N1CCOCC1)c1ccc2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
PIK3CD O00329 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
REN P00797 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8711785 0.85 CKS1B (0.35) KDM4EALDH1A1RECQLPIK3CDSMN1; SMN2
SCHEMBL901425 0.82 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2300866 0.77 CTSS (0.46) KMT2AGAACTSSPOLB
Leucine SCHEMBL8714828 0.72 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6800181 0.69 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL7445245 0.69 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AHSD17B10MEN1
SCHEMBL234783 0.68 CTSS (0.59) KMT2AGAACTSSPOLB
SCHEMBL233988 0.68 MMP2 (0.48) KDM4EALDH1A1HSD17B10GAATSHR
SCHEMBL3469950 0.68 MMP2 (0.43) KDM4EALDH1A1RENMAPTKMT2A
SCHEMBL6799660 0.67 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A

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-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP disclosed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP disclosed