SCHEMBL11113840

SCHEMBL11113840

C#CCN(OCC=C)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
CYP3A4 P08684 1/20 0.37
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
AKT1 P31749 2/20 0.35

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
SCHEMBL11114846 0.86 MAOA (0.42) MAOAMAOB
SCHEMBL11109658 0.82 MAOA (0.43) TSHRMAOAMAOBLIMK1LIMK2
SCHEMBL11111326 0.77 TSHR (0.44) TSHRMAOAMAOBCYP3A4LIMK1
SCHEMBL11108379 0.76 LMNA (0.43) TSHRMAOAMAOB
SCHEMBL28358547 0.75 TSHR (0.44) TSHRCYP3A4AKT1
SCHEMBL11112928 0.73 MAPT (0.32)
SCHEMBL10643338 0.72 ALDH1A1 (0.40) TSHRMAOAMAOB
SCHEMBL8484820 0.71 LIMK1 (0.52) MAOAMAOBLIMK1LIMK2
SCHEMBL3184357 0.70 FFAR1 (0.43)
SCHEMBL9878013 0.70 MAOA (0.42) TSHRMAOAMAOBCYP3A4LIMK1

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-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed