SCHEMBL28160477

SCHEMBL28160477

CCNOC(=O)CCC=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TSHR P16473 3/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HPGD P15428 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL28223734 0.88 CNR2 (0.45) CNR2CNR1ALDH1A1TSHRMAPT
SCHEMBL27929532 0.82 TSHR (0.48) CNR2CNR1ALDH1A1TSHRMAPT
SCHEMBL2778489 0.79 ADH1B (0.39) CNR2CNR1ALDH1A1TSHRCA12
SCHEMBL1912572 0.79 CA12 (0.46) CNR2CNR1ALDH1A1TSHRMAPT
SCHEMBL7592305 0.78
SCHEMBL27682041 0.77 CNR2 (0.37) CNR2CNR1ALDH1A1TSHRCA12
SCHEMBL242764 0.75
SCHEMBL4392445 0.74
SCHEMBL5974026 0.73 KDM4E (0.32)
Hydrochloric Acid SCHEMBL23633200 0.72 CNR2 (0.33) CNR2CNR1ALDH1A1TSHRMGAM

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
CN-106860411-A A kind of new pharmaceutical preparation colloidal bismmth pectin piece 于学敏 2017-06-20 CN disclosed