SCHEMBL29397997

SCHEMBL29397997

N[C@H](Cc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
AKR1B1 P15121 1/20 0.52
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
GRIA2 P42262 1/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL29398675 1.00 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28839577 1.00 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3622031 0.88 KDM4E (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7768275 0.84 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30013884 0.80 NOS3 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29168278 0.80 NOS3 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL574754 0.80 NOS3 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17653888 0.80 NOS3 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL298903 0.79 PKM (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL35491891 0.79 PKM (0.58) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed