SCHEMBL28045488

SCHEMBL28045488

C=CC(=O)OC(C)C.C=COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HPGD P15428 1/20 0.31

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
SCHEMBL28170566 0.86 TSHR (0.38) TSHRALDH1A1
SCHEMBL31332333 0.85 HCAR2 (0.52) TSHRHCAR2ALDH1A1CA12AKR1B10
SCHEMBL25921 0.85
Ethylene SCHEMBL10617807 0.85 TSHR (0.37) TSHRALDH1A1
SCHEMBL27535344 0.85 TSHR (0.37) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL1881209 0.83
Hydrochloric Acid SCHEMBL7719769 0.83
SCHEMBL31631400 0.83
SCHEMBL31631401 0.83
Ethylene SCHEMBL5972217 0.83 HCAR2 (0.50) TSHRHCAR2ALDH1A1CA12AKR1B10

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-105273722-A Sand solidification method CHINA PETROCHEMICAL CORP 2016-01-27 CN disclosed