SCHEMBL8713415

SCHEMBL8713415

[CH2]CCCNCCCCN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.68
CA6 P23280 5/20 0.68
CA7 P43166 5/20 0.68
CA9 Q16790 5/20 0.68
CA14 Q9ULX7 5/20 0.68
CA5B Q9Y2D0 5/20 0.68
CA2 P00918 4/20 0.68
CA4 P22748 4/20 0.68
CA5A P35218 4/20 0.68
ALOX15 P16050 3/20 0.68
CA3 P07451 3/20 0.68
F13A1 P00488 2/20 0.68
CYP1A2 P05177 2/20 0.68
THPO P40225 2/20 0.68
CA1 P00915 2/20 0.68
CYP2C9 P11712 1/20 0.68
PKM P14618 1/20 0.68
TSHR P16473 1/20 0.68
MTOR P42345 1/20 0.68
LMNA P02545 3/20 0.65

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
SCHEMBL10363853 0.97 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10365402 0.97 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10363845 0.94 CA12 (0.68) CA12CA6CA7CA9CA14
SCHEMBL10363858 0.92 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL2801621 0.92 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL7992629 0.92 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10363888 0.92 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10365430 0.92 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10365393 0.92 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10365220 0.92 CA12 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747471-A DNA, RNA AND ANTISENSE POLYNUCLEOTIDES FOR GENE THERAPY GENZYME CORPORATION (US) 1998-05-05 US disclosed
US-4918107-A HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS TSUMURA & CO. (JP) 1990-04-17 US disclosed