SCHEMBL16498152

SCHEMBL16498152

O=C(C=CC1CC1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.40
NAAA Q02083 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
PPARA Q07869 2/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ABCB1 P08183 1/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7689765 1.00 IDH1 (0.40) IDH1NAAAHDAC8PPARAHDAC1
SCHEMBL7689762 1.00 IDH1 (0.40) IDH1NAAAHDAC8PPARAHDAC1
SCHEMBL16498155 1.00 IDH1 (0.40) IDH1NAAAHDAC8PPARAHDAC1
SCHEMBL17747720 0.86 NAAA (0.42) IDH1NAAAPPARAHDAC1ABCB1
SCHEMBL17747717 0.86 NAAA (0.42) IDH1NAAAPPARAHDAC1ABCB1
SCHEMBL17747719 0.86 NAAA (0.42) IDH1NAAAPPARAHDAC1ABCB1
SCHEMBL4192293 0.85 NAAA (0.44) IDH1NAAAPPARAHDAC1ABCB1
SCHEMBL5058893 0.85 NAAA (0.44) IDH1NAAAPPARAHDAC1ABCB1
SCHEMBL3963002 0.85 NAAA (0.44) IDH1NAAAPPARAHDAC1ABCB1
SCHEMBL5058895 0.85 NAAA (0.44) IDH1NAAAPPARAHDAC1ABCB1

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-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed