SCHEMBL28488251

SCHEMBL28488251

NC(Cc1ccccc1)OC(=O)/C=C\C(=O)OC(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
EPHX1 P07099 2/20 0.50
CYP1A2 P05177 1/20 0.50
SLC15A1 P46059 2/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
SRR Q9GZT4 2/20 0.47
HCAR2 Q8TDS4 3/20 0.46
LAP3 P28838 3/20 0.44
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
ANPEP P15144 1/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL3290998 0.86 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16755256 0.83 HCAR2 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7100077 0.80 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3482638 0.80 HCAR2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL341158 0.80 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3482808 0.80 HCAR2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15064920 0.79 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16099181 0.79 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10897270 0.78 HTR2A (0.56) EPHX1CYP1A2
SCHEMBL27808238 0.77 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5

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-112004520-A Modified release drug powder compositions comprising a gastric retentive raft forming system with triggered pulsed drug release 特瑞斯制药公司 2020-11-27 CN disclosed