SCHEMBL25753851

SCHEMBL25753851

COC(=O)CNC(=O)CCCC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
PTPRC P08575 5/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
PTPN13 Q12923 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
PKM P14618 2/20 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
SCHEMBL21939833 0.89 PTPRC (0.49) RECQLPTPRCALDH1A1KDM4ELMNA
SCHEMBL25753852 0.87 LMNA (0.48) PTPRCALDH1A1KDM4ELMNAPTPN13
SCHEMBL25753950 0.85 PTPRC (0.47) RECQLPTPRCALDH1A1KDM4ELMNA
SCHEMBL25753957 0.82 KDM4E (0.46) PTPRCALDH1A1KDM4ELMNAPTPN13
SCHEMBL25753887 0.82 HDAC2 (0.49) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL13649352 0.81 MAPT (0.51) PTPRCALDH1A1KDM4ELMNAPTPN13
SCHEMBL21940137 0.81 HDAC2 (0.51) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL4451690 0.81 HDAC2 (0.48) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL25753979 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL21878898 0.77 TRPV1 (0.50) ALDH1A1KDM4ELMNAHDAC2HDAC6

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
EP-3615502-B1 THERAPEUTIC COMPOUNDS AND METHODS UNIV TASMANIA (AU) 2023-06-21 EP disclosed