SCHEMBL16995337

SCHEMBL16995337

O=CNCCNCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.39
ADH1A P07327 3/20 0.39
ADH7 P40394 3/20 0.39
PRMT1 Q99873 1/20 0.37
LMNA P02545 2/20 0.36
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
S1PR1 P21453 4/20 0.36
ADH1C P00326 2/20 0.36
S1PR3 Q99500 2/20 0.36
LTA4H P09960 2/20 0.36
ECE1 P42892 1/20 0.35
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
ADRA1A P35348 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL842029 0.87
SCHEMBL28265969 0.85
Hydrochloric Acid SCHEMBL10476094 0.85
SCHEMBL162041 0.84 LMNA (0.50) PRMT1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL17433002 0.84 LMNA (0.50) PRMT1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL5035377 0.84 LMNA (0.50) PRMT1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL20415450 0.84 LMNA (0.50) PRMT1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL12491912 0.84 LMNA (0.50) PRMT1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL23619692 0.83 ADH1B (0.40) ADH1BADH1AADH7PRMT1LMNA
SCHEMBL30407212 0.82 PRMT1 (0.46) PRMT1LMNAEGLN1ALKBH5SUCNR1

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
EP-2576586-B1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed