SCHEMBL14175205

SCHEMBL14175205

C/C=C\C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
ABCB1 P08183 2/20 0.42
FAAH O00519 1/20 0.41
IDH1 O75874 8/20 0.40
PPARA Q07869 2/20 0.40
IL6ST P40189 1/20 0.39
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL5058895 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL5058893 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL4192293 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL3963007 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL8863773 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL3963002 1.00 NAAA (0.44) NAAAABCB1FAAHIDH1PPARA
SCHEMBL17747719 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA
SCHEMBL17747720 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA
SCHEMBL17747717 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA
SCHEMBL14175204 0.88 NAAA (0.42) NAAAABCB1FAAHIDH1PPARA

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-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 US disclosed
US-7390826-B2 Inhibitors of animal cell motility and growth THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-24 US disclosed