SCHEMBL13459130

SCHEMBL13459130

CCOC(=O)C1CC(NC)c2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TSHR P16473 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3355152 0.83 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1CYP4F2
SCHEMBL3386118 0.82 ALDH1A1 (0.40) POLBKMT2AMEN1ALDH1A1CYP4F2
Hydrochloric Acid SCHEMBL25390853 0.82 ALDH1A1 (0.42) POLBKMT2AMEN1ALDH1A1CYP4F2
SCHEMBL3356086 0.79 L3MBTL1 (0.41) POLBKMT2AMEN1ALDH1A1TSHR
SCHEMBL13459159 0.77 L3MBTL1 (0.39) POLBKMT2AMEN1ALDH1A1CYP4F2
SCHEMBL612174 0.75 TSHR (0.63) POLBKMT2AMEN1ALDH1A1TSHR
SCHEMBL9129772 0.73 CYP4F2 (0.52) POLBKMT2AMEN1ALDH1A1CYP4F2
SCHEMBL9739640 0.71 CYP4F2 (0.67) POLBKMT2AMEN1ALDH1A1CYP4F2
SCHEMBL7636320 0.71 CYP4F2 (0.67) POLBKMT2AMEN1ALDH1A1CYP4F2
SCHEMBL6327261 0.71 KMT2A (0.41) KMT2AMEN1ALDH1A1TSHRL3MBTL1

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-2010023512-A1 NOVEL VANILLOID RECEPTOR MODULATORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (IN) 2010-03-04 WO disclosed