SCHEMBL6401629

SCHEMBL6401629

C=CC(=O)CCNCCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
FGFR4 P22455 1/20 0.36
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6406505 0.85 MAOA (0.44) ALDH1A1TSHRFGFR4
SCHEMBL6408840 0.85 MAOA (0.35) ALDH1A1TSHRFGFR4
SCHEMBL6406509 0.83 CA12 (0.43) ALDH1A1TSHRTDP1
SCHEMBL1806852 0.81 MAOA (0.37) ALDH1A1TSHRTDP1
SCHEMBL6401631 0.79 PAOX (0.48) TSHR
SCHEMBL28371728 0.79
SCHEMBL20851864 0.78 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1
SCHEMBL16638631 0.78 MAOA (0.36) ALDH1A1TSHRTDP1
SCHEMBL757712 0.76
SCHEMBL8615356 0.76

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