SCHEMBL25753950

SCHEMBL25753950

CC1=C(CCCCCC(=O)NCC(=O)OC(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.47
GAA P10253 1/20 0.40
PTPN13 Q12923 1/20 0.39
MAPT P10636 2/20 0.39
PGR P06401 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
MAPK1 P28482 1/20 0.39
DRD3 P35462 1/20 0.39
SNCA P37840 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL21939833 0.95 PTPRC (0.49) PTPRCMAPTPGRHTR1AADORA3
SCHEMBL25753851 0.85 RECQL (0.49) PTPRCGAAPTPN13MAPTKDM4E
SCHEMBL25753957 0.85 KDM4E (0.46) PTPRCPTPN13MAPTKDM4EAPAF1
SCHEMBL25753979 0.80 ALDH1A1 (0.47) GAAMAPTPGRMAPK1PDE3A
SCHEMBL25753852 0.80 LMNA (0.48) PTPRCPTPN13MAPTPGRHTR1A
SCHEMBL21939609 0.79 HDAC1 (0.48) MAPTTDP1HDAC2HDAC6HDAC8
SCHEMBL13814546 0.78 MALT1 (0.55) GAAMAPTKDM4EAPAF1MITF
SCHEMBL21939938 0.77 ACE (0.48) MAPTTDP1HDAC6HDAC1
SCHEMBL25754017 0.76 PTPRC (0.48) PTPRCPTPN13LMNAL3MBTL1TLR2
SCHEMBL21939844 0.76 F13A1 (0.51) MAPTALDH1A1HDAC2HDAC6HDAC8

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