SCHEMBL9533341

SCHEMBL9533341

CC(=O)CC(=O)OCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 7/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11604627 0.88 ALDH1A1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7283280 0.81 KMT2A (0.46) KDM4EHPGDCYP1A2
SCHEMBL21748712 0.80 ALDH1A1 (0.46) GAAALDH1A1HTTTDP1KDM4E
SCHEMBL6695501 0.79 ALDH1A1 (0.41) GAAALDH1A1HTTTDP1NPC1
SCHEMBL5902428 0.79 SIGMAR1 (0.46) ALDH1A1KDM4ECYP1A2
SCHEMBL7236982 0.79 KDM4E (0.49) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL5036796 0.77 ALDH1A1 (0.40) GAAALDH1A1HTTTDP1NPC1
SCHEMBL28060046 0.76 GAA (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11461137 0.74 ALDH1A1 (0.55) ALDH1A1HTTMAPTPOLBHPGD
SCHEMBL25166535 0.73 TSHR (0.42) GAAALDH1A1HTTTDP1NPC1

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
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed