SCHEMBL29664813

SCHEMBL29664813

CCCCN(C(=O)N(CCCC)N1C(=O)CCC1=O)N1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL11709955 0.82 KMT2A (0.38) SMN1; SMN2KMT2AFAAHMGLLALDH1A1
SCHEMBL28737248 0.79 CA12 (0.40) CA12CA1CA9SMN1; SMN2GAA
SCHEMBL16908563 0.76 KMT2A (0.39) KDM4ESMN1; SMN2HTTKMT2AFAAH
SCHEMBL28088314 0.72 FAAH (0.37) SMN1; SMN2GAAKMT2AFAAHMGLL
SCHEMBL16908561 0.69 KDM4E (0.33) KDM4EGAAHTT
SCHEMBL5470930 0.66 SIGMAR1 (0.40) KDM4ECA12CA1CA9SMN1; SMN2
SCHEMBL9327905 0.66 MEN1 (0.41) SMN1; SMN2GAAHTTKMT2AALDH1A1
Pentane SCHEMBL28218834 0.65 FAAH (0.39) KDM4ESMN1; SMN2GAAKMT2ACYP1A2
Octane SCHEMBL28167668 0.63 MGLL (0.46) SMN1; SMN2GAAKMT2ACYP1A2FAAH
SCHEMBL12108939 0.63 L3MBTL1 (0.42) KDM4ECA1SMN1; SMN2KMT2AFAAH

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-116603073-A Platelet-loaded small molecule pharmaceutical preparation, and preparation method and application thereof 上海臻上医药科技有限公司 2023-08-18 CN disclosed
CN-116173237-A Pharmaceutical formulation, method for the production thereof, and use thereof 上海臻上医药科技有限公司 2023-05-30 CN disclosed
CN-114504654-A Platelet preparation for drug delivery and preparation and detection methods thereof 上海臻上医药科技有限公司 2022-05-17 CN disclosed