SCHEMBL20718003

SCHEMBL20718003

N[C@@H](CCC(=O)I)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
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
MMP2 P08253 4/20 0.51
SLC15A1 P46059 1/20 0.49
ANPEP P15144 2/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
LTA4H P09960 1/20 0.46
CPA3 P15088 1/20 0.46
CYP1A2 P05177 1/20 0.46
LAP3 P28838 2/20 0.44
GGT1 P19440 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
SCHEMBL288473 0.85 CPA3 (0.62) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL5767750 0.85 CPA3 (0.62) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL157500 0.85 CPA3 (0.62) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL13452451 0.84 EPHX1 (0.57) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL20717804 0.84 EPHX1 (0.57) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL15638183 0.82 ALPI (0.56) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL20704531 0.82 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL20718005 0.82 ALPI (0.56) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL20704533 0.82 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL11473759 0.82 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP

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