SCHEMBL4315591

SCHEMBL4315591

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.62
PPM1A P35813 2/20 0.59
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LTA4H P09960 1/20 0.38
SLC15A1 P46059 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
SRR Q9GZT4 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL4315586 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL5497399 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL4315593 1.00 PPM1B (0.62) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL27858195 0.75 CYP1A2 (0.50) PPM1BALPIPKMPTGS1XIAP
SCHEMBL20576648 0.73 PPM1B (0.41) PPM1BPPM1AALPIPKMPTGS1
SCHEMBL31106393 0.71 TRPA1 (0.51) PPM1BALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1695172 0.67 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4992286 0.67 ACE (0.42) PPM1BALPIPKMPTGS1XIAP
SCHEMBL8561050 0.66 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17905254 0.65 MEN1 (0.46) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126273-A Molecularly imprinted covalent organic framework material and preparation method and application thereof 江南大学 2024-06-04 CN claimed
CN-114008066-B Method for producing peptide or protein or peptidomimetic 斯特兰化学公司 2024-10-29 CN disclosed
CN-118599848-A Nucleic acid adaptation ligands and their use in the preparation of medicaments application of identifying microcystins 昆明理工大学 2024-09-06 CN disclosed
CN-118126273-A Molecularly imprinted covalent organic framework material and preparation method and application thereof 江南大学 2024-06-04 CN disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11414329-B2 Treatment of cyanotoxin-containing water EVONIK OPERATIONS GMBH (DE) 2022-08-16 US disclosed
EP-3962922-A1 METHOD FOR PRODUCING PEPTIDES OR PROTEINS OR PEPTIDOMIMETICS Strainchem (FR) 2022-03-09 EP disclosed
CN-114008066-A Method for producing peptide or protein or peptide mimetic 斯特兰化学公司 2022-02-01 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed