SCHEMBL9116563

SCHEMBL9116563

COC(=O)C(CC(C)=O)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPT P10636 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
SCHEMBL27627089 0.82 ALDH1A1 (0.39) ALDH1A1TDP1MGAMGAASI
SCHEMBL1591739 0.76 ALDH1A1 (0.40) ALDH1A1TDP1CYP2C19
SCHEMBL18407615 0.73 ALDH1A1 (0.48) ALDH1A1TDP1MGAMGAASI
SCHEMBL26157830 0.73 ALDH1A1 (0.48) ALDH1A1TDP1MGAMGAASI
SCHEMBL8214569 0.73 ALDH1A1 (0.48) ALDH1A1TDP1MGAMGAASI
SCHEMBL2098816 0.70 ALDH1A1 (0.43) ALDH1A1TDP1MGAMGAASI
SCHEMBL8060426 0.69 ALDH1A1 (0.42) ALDH1A1TDP1MGAMGAASI
SCHEMBL8060423 0.69 ALDH1A1 (0.42) ALDH1A1TDP1MGAMGAASI
SCHEMBL20956583 0.68 CA1 (0.39) ALDH1A1TDP1MGAMGAASI
SCHEMBL28687491 0.68 ALDH1A1 (0.37) ALDH1A1TDP1MGAMGAASI

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
WO-1995031183-A1 CELL MEMBRANE FUSION COMPOSITION AND METHOD WASHINGTON UNIVERSITY (US) 1995-11-23 WO disclosed