SCHEMBL19035608

SCHEMBL19035608

CCCCCCCC(C)Cn1ccc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
GAA P10253 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL21514093 0.83 PRSS1 (0.37) ADAKDRMEN1KMT2ANPSR1
SCHEMBL17943853 0.76 NPC1 (0.42) KDRNPSR1
SCHEMBL22255172 0.72 LMNA (0.34) MEN1KMT2ANPSR1
SCHEMBL19504430 0.69 GAA (0.41) GAA
SCHEMBL293669 0.68
SCHEMBL255119 0.67
SCHEMBL24884612 0.66 THRB (0.39) GAA
SCHEMBL22129693 0.64 ACE2 (0.62) ACE2ADH1BADH1CADH1AADH4
SCHEMBL20835139 0.64 ACE2 (0.62) ACE2ADH1BADH1CADH1AADH4
SCHEMBL20506756 0.64 ACE2 (0.62) ACE2ADH1BADH1CADH1AADH4

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-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed