SCHEMBL8990144

SCHEMBL8990144

N[C@@H](Cc1ccccc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
SLC15A1 P46059 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
LTA4H P09960 1/20 0.45
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SRR Q9GZT4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LAP3 P28838 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL8990136 1.00 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL3050574 0.98 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL3051051 0.94 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6860384 0.86 SLC7A5 (0.54) SLC7A5HDAC8TAAR1SLC6A2
SCHEMBL11396084 0.81 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27373982 0.80 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7780318 0.80 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1449126 0.80 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27509444 0.80 PPARG (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23638394 0.80 TACR1 (0.57) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150108-B Solid-phase synthesis method of liraglutide 台州吉诺生物科技有限公司 2022-07-22 CN disclosed
EP-0721447-A1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE NAPIER UNIVERSITY VENTURES LIMITED (GB) 1996-07-17 EP disclosed