SCHEMBL28201841

SCHEMBL28201841

CC(=CC(Cc1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
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
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP1A2 P05177 1/20 0.41
SLC15A1 P46059 1/20 0.41
SRR Q9GZT4 1/20 0.39
TRPA1 O75762 1/20 0.39
ACP3 P15309 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTRB1 P17538 2/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL1334234 0.87 MTNR1A (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL1334238 0.87 MTNR1A (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL27484522 0.82 MTNR1A (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL6450535 0.77 ALPI (0.45) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL4575208 0.76 ALPI (0.44) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL3647763 0.75 HPGD (0.42)
SCHEMBL1629331 0.75 TRPA1 (0.53) TRPA1
SCHEMBL1629337 0.75 TRPA1 (0.53) TRPA1
SCHEMBL8893738 0.75 TRPA1 (0.53) TRPA1
SCHEMBL1629334 0.75 TRPA1 (0.53) TRPA1

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
CN-107615062-A Hydrogel particles with tunable optical properties and methods of using the same 弹弓生物科学公司 2018-01-19 CN disclosed