SCHEMBL4795705

SCHEMBL4795705

NN(N)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
CYP1A2 P05177 1/20 0.55
SRR Q9GZT4 2/20 0.52
SLC1A3 P43003 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
CPA3 P15088 3/20 0.48
CPA1 P15085 2/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
EPHX1 P07099 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL4795710 1.00 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL434525 0.86 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL434524 0.86 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27626196 0.86 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9177995 0.86 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27878042 0.85 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27878043 0.85 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2781695 0.82 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22078519 0.82 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2780442 0.82 ALPI (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112494656-B Insulin receptor partial agonists 默沙东有限责任公司 2024-01-30 CN disclosed
CN-112494656-A Partial insulin receptor agonists 默沙东公司 2021-03-16 CN disclosed
CN-105324397-B Insulin-incretin conjugates 印第安纳大学研究及科技有限公司 2020-01-14 CN disclosed
CN-105792852-B Glucose-responsive insulin conjugates 默沙东公司 2019-12-10 CN disclosed
WO-2008004529-A1 NOVEL FLUORESCENT AMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2008-01-10 WO disclosed
EP-0658585-B1 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants STUEBER WERNER (DE) 2000-07-19 EP disclosed
EP-0658585-A3 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants. BEHRINGWERKE AG (DE) 1995-10-18 EP disclosed
EP-0658585-A2 Aminophenylalanine derivatives, process for their production, their use and agents containing them as anti-coagulants BEHRINGWERKE Aktiengesellschaft (DE) 1995-06-21 EP disclosed