SCHEMBL28595162

SCHEMBL28595162

CC(C)(C)OOC(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
PREP P48147 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL29126183 0.98 HPGD (0.49) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL8418257 0.82 SMN1; SMN2 (0.38) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL7858182 0.77 HPGD (0.68) HPGDSMN1; SMN2MAPTUSP2ALDH1A1
SCHEMBL5053 0.77 HPGD (0.68) HPGDSMN1; SMN2MAPTUSP2ALDH1A1
SCHEMBL29060341 0.76 KMT2A (0.41) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL19852529 0.76 HPGD (0.71) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL18097955 0.76 HPGD (0.71) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL60470 0.76 HPGD (0.71) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL2077166 0.76 HPGD (0.71) HPGDSMN1; SMN2NPC1MAPTHTT
SCHEMBL21707988 0.76 HPGD (0.71) HPGDSMN1; SMN2NPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204028-B tetrahydro-1H-pyrazino [2,1-a ] isoindoloquinoline compounds for use in the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 CN disclosed