SCHEMBL29901003

SCHEMBL29901003

Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2Cc2ccccc2O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.64
HSPA5 P11021 2/20 0.53
IDH1 O75874 1/20 0.47
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
CNR2 P34972 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP1A2 P05177 1/20 0.40
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSPD1 P10809 1/20 0.39

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
SCHEMBL10471927 0.91 AMY1A (0.69) AMY1AHSPA5IDH1MAPTHTT
SCHEMBL10869293 0.83 KEAP1 (0.53) AMY1AHSPA5IDH1MAPTHPGD
SCHEMBL29402131 0.82 AMY1A (0.83) AMY1AHSPA5MAPTHTTSMN1; SMN2
SCHEMBL29621432 0.82 AMY1A (0.83) AMY1AHSPA5MAPTHTTSMN1; SMN2
SCHEMBL50622 0.82 AMY1A (0.83) AMY1AHSPA5MAPTHTTSMN1; SMN2
SCHEMBL15099991 0.81 AMY1A (0.70) AMY1AHSPA5MAPTHTTSMN1; SMN2
SCHEMBL1409748 0.81 AMY1A (0.65) AMY1AHSPA5MAPTHTTSMN1; SMN2
SCHEMBL30375225 0.80 AMY1A (0.69) AMY1AHSPA5IDH1MAPTSMN1; SMN2
SCHEMBL29290539 0.80 AMY1A (0.69) AMY1AHSPA5IDH1MAPTSMN1; SMN2
SCHEMBL7758427 0.80 AMY1A (0.69) AMY1AHSPA5IDH1MAPTSMN1; SMN2

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
CN-115023455-A Foamed polyurethane composition 美国主席团有限公司 2022-09-06 CN disclosed