SCHEMBL6401631

SCHEMBL6401631

C=CC(=O)CCNCCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.48
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CASP2 P42575 2/20 0.46
F13A1 P00488 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
THPO P40225 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6406509 0.92 CA12 (0.43) PAOXCA12CA2CA4CA6
SCHEMBL6408843 0.82 MAOA (0.48) PAOXCA12CA2CA4CA6
Norspermidine SCHEMBL9615504 0.81 CA12 (0.52) PAOXCA12CA2CA4CA6
SCHEMBL6401629 0.79 ALDH1A1 (0.36) TSHR
Spermine SCHEMBL25404718 0.79 CA12 (0.56) PAOXCA12CA2CA4CA6
Spermine SCHEMBL23924208 0.79 CA12 (0.56) PAOXCA12CA2CA4CA6
SCHEMBL5087031 0.78
Spermidine SCHEMBL28486989 0.78 CA12 (0.58) PAOXCA12CA2CA4CA6
SCHEMBL13460013 0.76
Hydrochloric Acid SCHEMBL28511727 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