SCHEMBL12477240

SCHEMBL12477240

CCC(C)C(Cc1ccccc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.59
TRPA1 O75762 2/20 0.51
EPHX1 P07099 2/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CYP2D6 P10635 1/20 0.47
SRR Q9GZT4 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46

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
SCHEMBL17169777 0.86 ACE (0.71) ACETRPA1SLC1A3SLC1A2SLC1A1
SCHEMBL13588551 0.84 EPHX1 (0.55) ACETRPA1EPHX1SLC1A3SLC1A2
SCHEMBL23960529 0.84 EPHX1 (0.55) ACETRPA1EPHX1SLC1A3SLC1A2
SCHEMBL5866872 0.84 EPHX1 (0.55) ACETRPA1EPHX1SLC1A3SLC1A2
SCHEMBL27806639 0.83 EPHX1 (0.62) EPHX1SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL7136083 0.83 TRPA1 (0.56) ACETRPA1EPHX1SLC1A3SLC1A2
SCHEMBL7136080 0.83 TRPA1 (0.56) ACETRPA1EPHX1SLC1A3SLC1A2
SCHEMBL19919926 0.83 TRPA1 (0.51) ACETRPA1EPHX1SLC1A3SLC1A2
SCHEMBL9129682 0.80 TRPA1 (0.56) ACETRPA1SLC1A3SLC1A2SLC1A1
SCHEMBL1825965 0.77 CYP1A2 (0.64) ACETRPA1EPHX1SLC1A3SLC1A2

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-2348096-A2 Synthesis of hybrid block copolymers and uses thereof Intezyne Technologies Inc. (US) 2011-07-27 EP disclosed