SCHEMBL8079774

SCHEMBL8079774

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.51
IDH1 O75874 6/20 0.41
PPARA Q07869 2/20 0.41
FAAH O00519 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC1 Q13547 2/20 0.39
IL6ST P40189 1/20 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
SCHEMBL17146814 0.91 NAAA (0.57) NAAAIDH1PPARAFAAHALDH1A1
SCHEMBL6334745 0.89 NAAA (0.57) NAAAIDH1PPARAFAAH
SCHEMBL21978161 0.89 NAAA (0.51) NAAAIDH1PPARAFAAHHDAC1
SCHEMBL345276 0.89 NAAA (0.57) NAAAIDH1PPARAFAAH
SCHEMBL345275 0.89 NAAA (0.57) NAAAIDH1PPARAFAAH
SCHEMBL548889 0.89 NAAA (0.50) NAAAIDH1PPARAFAAHALDH1A1
SCHEMBL292751 0.88 NAAA (0.53) NAAAIDH1PPARAFAAHALDH1A1
SCHEMBL2207671 0.88 NAAA (0.53) NAAAIDH1PPARAFAAHALDH1A1
SCHEMBL13368994 0.88 NAAA (0.50) NAAAIDH1PPARAFAAHHDAC1
SCHEMBL292752 0.88 NAAA (0.53) NAAAIDH1PPARAFAAHALDH1A1

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
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO disclosed