SCHEMBL29220856

SCHEMBL29220856

CC(C)(C)OC(=O)N1CC(Nc2ccc(C(=O)O)nc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP30 Q70CQ3 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
EHMT2 Q96KQ7 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
FPR3 P25089 1/20 0.40

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
SCHEMBL25191571 0.89 GPR119 (0.50) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL30234604 0.89 GPR119 (0.50) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL27177244 0.89 GPR119 (0.50) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL25215675 0.88 USP30 (0.49) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL25917441 0.85 MAPT (0.50) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL24179617 0.84 ALDH1A1 (0.48) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL18361383 0.81 ALDH1A1 (0.55) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL31686045 0.81 ALDH1A1 (0.56) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL31686010 0.80 USP30 (0.58) GPR119ALDH1A1MAPTNPC1MAPK1
SCHEMBL30089008 0.80 PLA2G1B (0.51) GPR119ALDH1A1MAPTNPC1MAPK1

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-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 CN disclosed