SCHEMBL9437629

SCHEMBL9437629

CCC(CC)(C(=O)ONC(C)=O)C(=O)ONC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28125150 0.90 KDM4E (0.30) PKMKDM4E
SCHEMBL1443640 0.90 PKM (0.32) PKMKDM4ETHRBHTTMEN1
SCHEMBL11034068 0.86 KDM4E (0.30) PKMKDM4E
SCHEMBL19821900 0.80 PKM (0.33) PKMKDM4ETHRBHTT
SCHEMBL27395268 0.78 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL27611908 0.77 PTPN1 (0.38) KDM4EHTTMEN1MAPTKMT2A
SCHEMBL27631088 0.77 TPSAB1 (0.40) KDM4EMEN1MAPTKMT2A
SCHEMBL809243 0.75 DGAT1 (0.40) PKMKDM4EMEN1KMT2AL3MBTL1
SCHEMBL9707265 0.73 ELANE (0.32) KDM4E
SCHEMBL29674742 0.72 DGAT1 (0.39) PKMKDM4EMEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 US disclosed
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed