SCHEMBL6401327

SCHEMBL6401327

C=CC(=O)CNCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
FGFR4 P22455 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL27794294 0.82
SCHEMBL6408840 0.80 MAOA (0.35) ALDH1A1TSHRFGFR4MAOAMAOB
SCHEMBL6406505 0.80 MAOA (0.44) ALDH1A1TSHRFGFR4MAOAMAOB
SCHEMBL3259179 0.79
Methane SCHEMBL27513311 0.76 MAOA (0.50) ALDH1A1TSHRMAOAMAOBTDP1
Hydrochloric Acid SCHEMBL9654361 0.76 MAOA (0.50) ALDH1A1TSHRMAOAMAOBTDP1
SCHEMBL6401332 0.74
SCHEMBL5812829 0.74
SCHEMBL5930720 0.73
Methane SCHEMBL27587764 0.73 MAOA (0.48) ALDH1A1TSHRMAOAMAOBTDP1

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
US-20050075416-A1 Process for preparing microencapsulated pigment, microencapsulated pigment, aqueous dispersion, and ink for ink jet recording SEIKO EPSON CORPORATION 2005-04-07 US disclosed