SCHEMBL29707447

SCHEMBL29707447

CCN(CC)c1c(C=O)c(O)cc2c1C(c1ccccc1CO)c1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
USP2 O75604 2/20 0.36
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18623952 0.73 ALDH1A1 (0.37) MEN1KMT2AUSP2HTTTSHR
SCHEMBL18623953 0.73 SMN1; SMN2 (0.35) MEN1KMT2AUSP2HTTTSHR
SCHEMBL18179775 0.69 MEN1 (0.43) MEN1KMT2AUSP2HTTTSHR
SCHEMBL18606132 0.67 ALDH1A1 (0.43) MEN1KMT2AUSP2HTTTSHR
SCHEMBL18623960 0.65 ALDH1A1 (0.34) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL28333326 0.63 ALDH1A1 (0.36) MEN1KMT2AUSP2TSHRSMN1; SMN2
SCHEMBL2124307 0.62 HTT (0.46) MEN1KMT2AUSP2HTTTSHR
SCHEMBL30712035 0.62 MEN1 (0.47) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL30712039 0.62 MEN1 (0.47) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL18623959 0.62 MAPT (0.38) MEN1KMT2AHTTSMN1; SMN2NPSR1

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
EP-3144315-B1 ENZYME-SPECIFIC FLUORESCENT COMPOUND CAPABLE OF BEING RETAINED IN CELLS UNIV TOKYO (JP) 2022-07-06 EP disclosed