SCHEMBL21834849

SCHEMBL21834849

CCN(CC(O)c1cccc(O)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KYNU Q16719 1/20 0.51
HIF1A Q16665 4/20 0.50
LMNA P02545 4/20 0.50
GALR3 O60755 1/20 0.50
ADRB1 P08588 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL10551323 0.83 ALOX5 (0.56) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL9722083 0.83 ALOX5 (0.56) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL21834874 0.81 MEN1 (0.57) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL21860505 0.79 MEN1 (0.52) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL9722026 0.78 HIF1A (0.55) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL10206558 0.78 HIF1A (0.55) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL5065739 0.78 KYNU (0.50) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL21860498 0.77 MEN1 (0.50) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL30389656 0.77 KYNU (0.51) MEN1KMT2AKYNUHIF1ALMNA
SCHEMBL24951572 0.76 SLC22A1 (0.59) MEN1KMT2AKYNUHIF1ALMNA

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-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO disclosed