SCHEMBL9684812

SCHEMBL9684812

CC(=O)CCC1=C(CCC(C)=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
APAF1 O14727 4/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MITF O75030 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHODH Q02127 3/20 0.44
PTPN1 P18031 2/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CDC25B P30305 3/20 0.42
TDP2 O95551 3/20 0.42

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
SCHEMBL9684982 0.89 MAPT (0.55) ALDH1A1MAPTKDM4EAPAF1LMNA
SCHEMBL10897976 0.75 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL13649357 0.74 MAPT (0.59) ALDH1A1MAPTKDM4EAPAF1LMNA
SCHEMBL15765912 0.74 MEN1 (0.50) ALDH1A1MAPTKDM4EAPAF1LMNA
Anthraquinone SCHEMBL7856851 0.74 MEN1 (0.57) ALDH1A1MAPTKDM4EAPAF1LMNA
SCHEMBL14307223 0.74 CDC25B (0.50) ALDH1A1MAPTKDM4EAPAF1LMNA
SCHEMBL29036676 0.73 FGFR1 (0.45) ALDH1A1MAPTKDM4EAPAF1LMNA
SCHEMBL28669771 0.73 MAPT (0.50) ALDH1A1MAPTKDM4EAPAF1LMNA
SCHEMBL9178142 0.73 APAF1 (0.48) ALDH1A1MAPTKDM4EAPAF1LMNA
Anthraquinone SCHEMBL11698233 0.73 MEN1 (0.71) ALDH1A1MAPTKDM4EAPAF1LMNA

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
US-5145975-A Parasiticides THE ROCKEFELLER UNIVERSITY (US) 1992-09-08 US disclosed
US-4942170-A PARASITICIDES, ANTIPROTOZOA AGENTS THE ROCKEFELLER UNIVERSITY (US) 1990-07-17 US disclosed
EP-0355279-A2 Use of nitrogen-containing compounds as antiparasitics, and compositions containing them DRUG & VACCINE DEVELOPMENT CORPORATION (US) 1990-02-28 EP disclosed