SCHEMBL23829635

SCHEMBL23829635

CCC=Nc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 3/20 0.56
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
BLM P54132 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
NOS3 P29474 3/20 0.41

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
SCHEMBL10432489 0.88 CYP2C9 (0.40) S100BKMT2AALDH1A1MEN1LMNA
SCHEMBL10119196 0.79 CYP2C9 (0.48) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL11982401 0.79 CYP2C9 (0.48) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL9293163 0.77 TDP1 (0.44) KMT2AALDH1A1MEN1MAPTALOX15
SCHEMBL8756580 0.77 S100B (0.50) S100BALDH1A1LMNAHSD17B10TP53
SCHEMBL8756467 0.77 S100B (0.50) S100BALDH1A1LMNAHSD17B10TP53
SCHEMBL8756470 0.77 S100B (0.50) S100BALDH1A1LMNAHSD17B10TP53
SCHEMBL8756753 0.77 S100B (0.50) S100BALDH1A1LMNAHSD17B10TP53
SCHEMBL8756585 0.77 S100B (0.50) S100BALDH1A1LMNAHSD17B10TP53
SCHEMBL8756746 0.77 S100B (0.50) S100BALDH1A1LMNAHSD17B10TP53

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-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed