SCHEMBL6408840

SCHEMBL6408840

C=CC(=O)CNCCC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
FGFR4 P22455 1/20 0.35
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 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
SCHEMBL6401629 0.85 ALDH1A1 (0.36) ALDH1A1TSHRFGFR4
SCHEMBL6406505 0.83 MAOA (0.44) MAOAMAOBALDH1A1TSHRFGFR4
SCHEMBL3726901 0.81 ABCC4 (0.39) ALDH1A1TSHRMEN1FAAHCYP2C19
SCHEMBL6401327 0.80 ALDH1A1 (0.39) MAOAMAOBALDH1A1TSHRFGFR4
SCHEMBL6401332 0.78
SCHEMBL6408843 0.75 MAOA (0.48) MAOAMAOBALDH1A1TSHRMEN1
SCHEMBL757712 0.74
SCHEMBL1806852 0.74 MAOA (0.37) MAOAMAOBALDH1A1TSHRMEN1
SCHEMBL161105 0.73 MAOA (0.40) MAOAMAOBTSHRCYP1A2KMT2A
SCHEMBL10964056 0.72 MAOA (0.36) MAOAMAOBTSHRMEN1FAAH

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