SCHEMBL22650934

SCHEMBL22650934

COc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.51
CA5A P35218 3/20 0.51
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAPDH P04406 1/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
FLT3 P36888 1/20 0.42
MTNR1A P48039 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL31211587 0.85 CA2 (0.49) CA2CA5AALDH1A1KMT2ALMNA
SCHEMBL23974065 0.83 MAOA (0.55) CA2CA5AALDH1A1KMT2ALMNA
SCHEMBL17070937 0.83 METAP1 (0.53) CA2CA5AALDH1A1MAPTNPC1
SCHEMBL9058295 0.81 ALDH1A1 (0.41) CA2CA5AALDH1A1KMT2AHPGD
SCHEMBL8869451 0.80 DRD2 (0.44) CA2CA5AALDH1A1MAPTDRD2
SCHEMBL7511173 0.78 MAOA (0.59) CA2CA5AALDH1A1MAPTNPC1
SCHEMBL10453730 0.77 KDM4E (0.51) CA2ALDH1A1KMT2AMEN1GLA
SCHEMBL30539317 0.76 CA2 (0.58) CA2CA5AALDH1A1KMT2ALMNA
SCHEMBL31525565 0.76 CA12 (0.54) CA2CA5AALDH1A1KMT2AMAPT
SCHEMBL14495775 0.76 CA12 (0.54) CA2CA5AALDH1A1KMT2AMAPT

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-20200354512-A1 POLYMER, COMPOSITION, MOLDED ARTICLE, CURED PRODUCT, AND LAMINATE JSR CORPORATION (JP) 2020-11-12 US disclosed