SCHEMBL18779827

SCHEMBL18779827

O=C(CCCCCC1CCCCCCCC1)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 9/20 0.51
▸ KDM5A P29375 3/20 0.42
▸ PHF8 Q9UPP1 3/20 0.42
▸ KDM2A Q9Y2K7 3/20 0.42
▸ KDM4C Q9H3R0 2/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ ASAH1 Q13510 1/20 0.37

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
SCHEMBL20801422 1.00 NAAA (0.51) NAAAKDM5APHF8KDM2AKDM4C
SCHEMBL22181049 1.00 NAAA (0.51) NAAAKDM5APHF8KDM2AKDM4C
SCHEMBL21664445 0.99 NAAA (0.49) NAAAKDM5APHF8KDM2AKDM4C
SCHEMBL9752033 0.88 L3MBTL1 (0.41) NAAAHPGDMEN1KMT2ATDP1
SCHEMBL20801484 0.85 NAAA (0.40) NAAAEPHX1ASAH1
SCHEMBL21895267 0.84 NAAA (0.36) NAAAHPGDKMT2A
SCHEMBL22181082 0.83 NAAA (0.37) NAAAMEN1KMT2ATDP1
SCHEMBL37833 0.83 SMN1; SMN2 (0.42) HPGDKMT2A
SCHEMBL6046844 0.83 SMN1; SMN2 (0.42) HPGDKMT2A
SCHEMBL16983769 0.83 SMN1; SMN2 (0.42) HPGDKMT2A

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-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 — — US disclosed
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