SCHEMBL879966

SCHEMBL879966

Bc1cccc2c1ccn2CC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CREBBP Q92793 1/20 0.43

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
SCHEMBL13261931 0.87 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL3874161 0.86 ALDH1A1 (0.53) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL3913002 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL849754 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL17924282 0.84 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL29612923 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL31602704 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL7013723 0.83 POLB (0.58) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL10113694 0.81 MAPT (0.71) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL13261932 0.80 LMNA (0.53) ALDH1A1MAPTLMNAPOLBL3MBTL1

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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed