SCHEMBL28528638

SCHEMBL28528638

CCCCNCC(=O)NCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
FAAH O00519 1/20 0.52
TSHR P16473 2/20 0.48
EPHX1 P07099 4/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PAOX Q6QHF9 1/20 0.41
CASP2 P42575 1/20 0.41
ACHE P22303 1/20 0.41
MMP2 P08253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.40
CNR1 P21554 1/20 0.40
ALOX15 P16050 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL12268125 0.86 FAAH (0.45) GAAFAAHEPHX1PAOXCASP2
SCHEMBL8429841 0.85 GAA (0.42) GAAFAAHPAOXMEN1KMT2A
SCHEMBL18515892 0.83 GAA (0.41) GAAFAAHHDAC1HDAC2PAOX
SCHEMBL20095068 0.83 GAA (0.53) GAAFAAHTSHREPHX1HDAC1
SCHEMBL19475788 0.83 CASP2 (0.50) GAAFAAHTSHREPHX1CASP2
SCHEMBL15220629 0.83 FAAH (0.42) GAAFAAHPAOXMEN1KMT2A
SCHEMBL22018338 0.83 FAAH (0.42) GAAFAAHEPHX1PAOXCASP2
SCHEMBL21991374 0.82 GAA (0.51) GAAFAAHTSHREPHX1HDAC1
SCHEMBL8956629 0.82 GAA (0.51) GAAFAAHTSHREPHX1HDAC1
SCHEMBL7343085 0.81 CASP2 (0.64) GAAFAAHEPHX1CASP2MEN1

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-112341446-B Immunomodulator 成都先导药物开发股份有限公司 2022-06-17 CN disclosed
CN-112341446-A Immunomodulator 成都先导药物开发股份有限公司 2021-02-09 CN disclosed