SCHEMBL28958152

SCHEMBL28958152

CCCCCCCCCCCCCCCC(=O)NNC(=N)N(CCCC)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
DNM1 Q05193 4/20 0.40
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 3/20 0.40
FAAH O00519 6/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
P2RX7 Q99572 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 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
SCHEMBL28958062 1.00 KMT2A (0.42) KMT2AMAPTKDM4EDNM1HSP90AA1
SCHEMBL28377182 1.00 KMT2A (0.42) KMT2AMAPTKDM4EDNM1HSP90AA1
SCHEMBL17417179 0.74 SPHK1 (0.33) FAAHALDH1A1
SCHEMBL28044505 0.73 MEN1 (0.47) KMT2ADNM1HSP90AA1MEN1GAA
SCHEMBL7108790 0.73 HSP90AA1 (0.70) KMT2AMAPTKDM4EHSP90AA1MEN1
SCHEMBL7103156 0.73 HSP90AA1 (0.70) KMT2AMAPTKDM4EHSP90AA1MEN1
SCHEMBL22960696 0.73 HSP90AA1 (0.70) KMT2AMAPTKDM4EHSP90AA1MEN1
SCHEMBL8497574 0.73 HSP90AA1 (0.70) KMT2AMAPTKDM4EHSP90AA1MEN1
SCHEMBL6470717 0.73 HSP90AA1 (0.70) KMT2AMAPTKDM4EHSP90AA1MEN1
SCHEMBL9149574 0.73 HSP90AA1 (0.70) KMT2AMAPTKDM4EHSP90AA1MEN1

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-115581638-A Cleaning agent 株式会社资生堂 2023-01-10 CN disclosed