Trientine

Trientine

SCHEMBL6536622

NC(=O)CCCCC(N)=O.NCCNCCNCCN

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA6 P23280 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA5B Q9Y2D0 5/20 0.58
CA2 P00918 4/20 0.58
CA4 P22748 4/20 0.58
CA5A P35218 4/20 0.58
ALOX15 P16050 4/20 0.58
LMNA P02545 3/20 0.58
CA3 P07451 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CA1 P00915 2/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 3/20 0.53
RECQL P46063 3/20 0.53
KMT2A Q03164 3/20 0.53

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
SCHEMBL6536693 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL6536892 0.97 CA12 (0.56) CA12CA6CA7CA9CA14
Succinamide SCHEMBL6536917 0.95 CA12 (0.58) CA12CA6CA7CA9CA14
Trientine SCHEMBL6536757 0.95 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL16638627 0.92 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL10064409 0.92 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL9110329 0.92 PAOX (0.57) CA12CA6CA7CA9CA14
Succinamide SCHEMBL6536887 0.92 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL11310703 0.90 PAOX (0.61) CA12CA6CA7CA9CA14
SCHEMBL2311032 0.90 PAOX (0.61) CA12CA6CA7CA9CA14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677427-B1 REACTING AT LEAST ONE DIESTER AND AT LEAST ONE POLYAMINE IN PRESENCE OF A HYDROLYTIC ENZYME TO PREPARE POLYAMIDE HERCULES INCORPORATED 2004-01-13 US claimed
EP-1290211-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2003-03-12 EP claimed
WO-2001096588-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2001-12-20 WO claimed
US-6677427-B1 REACTING AT LEAST ONE DIESTER AND AT LEAST ONE POLYAMINE IN PRESENCE OF A HYDROLYTIC ENZYME TO PREPARE POLYAMIDE HERCULES INCORPORATED 2004-01-13 US disclosed
EP-1290211-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2003-03-12 EP disclosed
WO-2001096588-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2001-12-20 WO disclosed