SCHEMBL20458684

SCHEMBL20458684

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.37
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
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
SCHEMBL12285562 0.89 TSHR (0.47) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL20227400 0.83
SCHEMBL20202281 0.80 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL20207221 0.79 THRB (0.36) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL20227399 0.76 THRB (0.43) TSHRADRB2
SCHEMBL20224592 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL20997516 0.74 TSHR (0.37) TSHRADRB2ADRB1ADRB3SLC2A1
SCHEMBL8019414 0.74 ADRB2 (0.54) TSHRADRB2ADRB1ADRB3
SCHEMBL10077077 0.73 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL20224599 0.73 ALDH1A1 (0.39) ALDH1A1TSHR

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-A1 NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE-TYPE LITHOGRAPHIC PRINTING ORIGINAL PLATE, AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM Corporation (JP) 2018-08-08 EP disclosed