SCHEMBL5369499

SCHEMBL5369499

CC(=CC1(C(=O)OCc2ccc(Cl)cc2)CC1(C)C)CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5369497 1.00 NPSR1 (0.39) NPSR1MEN1MAPTKMT2AMAOA
SCHEMBL5364939 0.87 ALDH1A1 (0.46) MAPTKMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL5364945 0.87 ALDH1A1 (0.46) MAPTKMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL5373472 0.85 MEN1 (0.39) NPSR1MEN1MAPTKMT2AMAOA
SCHEMBL5361655 0.85 MEN1 (0.39) NPSR1MEN1MAPTKMT2AMAOA
SCHEMBL5361661 0.85 MEN1 (0.39) NPSR1MEN1MAPTKMT2AMAOA
SCHEMBL5373476 0.85 MEN1 (0.39) NPSR1MEN1MAPTKMT2AMAOA
SCHEMBL5370238 0.76 TDP1 (0.51) L3MBTL1MMP2MMP1MMP9MMP12
SCHEMBL5370243 0.76 TDP1 (0.51) L3MBTL1MMP2MMP1MMP9MMP12
SCHEMBL5381062 0.75 POLB (0.35) ALDH1A1

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
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed