SCHEMBL6828581

SCHEMBL6828581

CC1CCCN(c2ccccc2C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
PTPN1 P18031 2/20 0.48
CSF1R P07333 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MYC P01106 1/20 0.44

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
SCHEMBL6826000 0.91 KMT2A (0.54) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL3076822 0.87 GAA (0.70) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL15630869 0.85 GAA (0.53) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7160177 0.83 PTPN1 (0.73) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL30273267 0.81 POLB (0.57) GAAALDH1A1HPGDCSF1RKMT2A
SCHEMBL6650052 0.81 KMT2A (0.60) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL6828690 0.81 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL9223541 0.81 GAA (0.81) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL11097456 0.81 GAA (0.58) GAAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2492855 0.79 NPC1 (0.68) GAAALDH1A1SMN1; SMN2HTTPTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221621-A Compound, preparation method and application thereof 暨南大学 2024-06-21 CN disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed