SCHEMBL20718005

SCHEMBL20718005

CC(=O)CC[C@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
EPHX1 P07099 1/20 0.55
ALDH1A1 P00352 1/20 0.53
SLC15A1 P46059 1/20 0.53
MMP2 P08253 2/20 0.51
LTA4H P09960 1/20 0.50
ANPEP P15144 2/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL15638183 1.00 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5767750 0.85 CPA3 (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL288473 0.85 CPA3 (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL157500 0.85 CPA3 (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20717804 0.84 EPHX1 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL13452451 0.84 EPHX1 (0.57) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL20704533 0.82 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL20704531 0.82 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21469872 0.82 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20718003 0.82 EPHX1 (0.55) 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
WO-2019027941-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF JAZZ PHARMACEUTICALS INTERNATIONAL III LIMITED (BM) 2019-02-07 WO disclosed