SCHEMBL20997516

SCHEMBL20997516

C=CC(=O)OC(CNC(C)(C)C)CNC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ADRB2 P07550 5/20 0.35
ADRB1 P08588 5/20 0.35
ADRB3 P13945 5/20 0.35
SLC2A1 P11166 1/20 0.33

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
SCHEMBL12285989 0.89 TSHR (0.47) TSHRADRB2ADRB1ADRB3
SCHEMBL20227400 0.83
SCHEMBL20202280 0.80 TSHR (0.42) TSHR
SCHEMBL20227401 0.79 TSHR (0.37) TSHRADRB2ADRB1ADRB3
SCHEMBL21891644 0.75 TSHR (0.41) TSHR
SCHEMBL20458684 0.74 ALDH1A1 (0.40) TSHRADRB2ADRB1ADRB3SLC2A1
SCHEMBL8437347 0.74 ADRB2 (0.54) TSHRADRB2ADRB1ADRB3
SCHEMBL561301 0.71 TSHR (0.45) TSHR
SCHEMBL10495084 0.71 TSHR (0.45) TSHRADRB2ADRB1ADRB3
SCHEMBL24384252 0.70 TSHR (0.37) TSHR

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-3358409-B1 NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE-TYPE LITHOGRAPHIC PRINTING ORIGINAL PLATE, AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORP (JP) 2019-05-15 EP disclosed