SCHEMBL13867474

SCHEMBL13867474

CCCCN(CCCCNC)CCCCN(CCCC)CCCCNC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
KDM5A P29375 4/20 0.40
PHF8 Q9UPP1 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
DNM1 Q05193 3/20 0.35
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL10760746 0.93 EPHX1 (0.71) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL681370 0.92 EPHX1 (0.55) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL1206276 0.90 EPHX1 (0.52) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL16720923 0.89 EPHX1 (0.48) EPHX1KDM4CPRMT3CARM1PRMT6
SCHEMBL29286833 0.88 EPHX1 (0.64) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL29286807 0.88 EPHX1 (0.64) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL21949028 0.88 EPHX1 (0.56) EPHX1KDM5APHF8KDM4CPRMT3
SCHEMBL24065809 0.87 EPHX1 (0.48) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL681618 0.87 EPHX1 (0.48) EPHX1KDM5APHF8KDM4CALDH1A1
SCHEMBL13867483 0.87 EPHX1 (0.46) EPHX1KDM4CPRMT3CARM1PRMT6

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-7517913-B2 Polyamine conjugates with acidic retinoids and preparation thereof PAPAIOANNOU DIONYSIOS 2009-04-14 US disclosed