SCHEMBL4301760

SCHEMBL4301760

NCCCCCNCCCNCCCN

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.88
CA6 P23280 4/20 0.88
CA7 P43166 4/20 0.88
CA9 Q16790 4/20 0.88
CA14 Q9ULX7 4/20 0.88
CA5B Q9Y2D0 4/20 0.88
CA2 P00918 3/20 0.88
CA4 P22748 3/20 0.88
CA5A P35218 3/20 0.88
F13A1 P00488 2/20 0.88
CYP1A2 P05177 2/20 0.88
ALOX15 P16050 2/20 0.88
THPO P40225 2/20 0.88
CA3 P07451 2/20 0.88
CA1 P00915 1/20 0.88
CYP2C9 P11712 1/20 0.88
PKM P14618 1/20 0.88
TSHR P16473 1/20 0.88
MTOR P42345 1/20 0.88
LMNA P02545 1/20 0.82

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
SCHEMBL333029 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL3169101 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL3165616 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL3158875 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
Spermidine SCHEMBL9144013 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL561079 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL13741268 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL1460244 0.97 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL5904795 0.97 CA12 (0.81) CA12CA6CA7CA9CA14
Spermine SCHEMBL9331554 0.97 CA12 (0.93) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281820-A1 Lfa-1 inhibitors and use thereof SODA KUNIYASU 2006-12-14 US claimed
WO-2009093454-A1 FOOD COMPOSITION, FEED COMPOSITION COMPRISING THE FOOD COMPOSITION, AND METHOD FOR FEEDING ANIMAL BY USING THE FEED COMPOSITION JICHI MEDICAL UNIVERSITY (JP) 2009-07-30 WO disclosed
WO-2007021839-A2 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2007-02-22 WO disclosed