SCHEMBL18012500

SCHEMBL18012500

CC(=O)SC[C@H](N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.49
ACE P12821 1/20 0.49
SCN4A P35499 4/20 0.49
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KIF11 P52732 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
SCHEMBL7444134 0.80 GPR139 (0.49) SCN4A
SCHEMBL11941176 0.79 ACE (0.54) MMEACE
SCHEMBL27875411 0.79 EPHX1 (0.54) MMEACEPKMMTNR1AMTNR1B
SCHEMBL10438808 0.78 MME (0.49) MMEACE
SCHEMBL4523623 0.76 SCN4A (0.58) SCN4A
SCHEMBL16133830 0.76 SCN4A (0.58) SCN4A
SCHEMBL27214040 0.76 SCN4A (0.46) SCN4A
SCHEMBL859558 0.75 ALPI (0.55) MMEACEALPIPKMPTGS1
SCHEMBL1337302 0.75 ALPI (0.55) MMEACEALPIPKMPTGS1
SCHEMBL1256892 0.75 ALPI (0.55) MMEACEALPIPKMPTGS1

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-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed