SCHEMBL4329261

SCHEMBL4329261

O=C(O)C(Cc1ccccc1)C(CC1=COCO1)(Cc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CPA3 P15088 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
ALPI P09923 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SLC15A1 P46059 1/20 0.33
CPA1 P15085 3/20 0.33
FOLH1 Q04609 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
MME P08473 2/20 0.32
SRR Q9GZT4 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32

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
SCHEMBL5741329 0.73 CYP1A2 (0.61) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL30249779 0.72 HIF1A (0.37) CYP1A2ALDH1A1SMN1; SMN2HIF1ANPC1
SCHEMBL673675 0.70 CYP1A2 (0.48) CYP1A2PKMCPA3SMN1; SMN2HIF1A
SCHEMBL1155203 0.68 TRPA1 (0.38) CYP1A2PKMALPIPTGS1XIAP
Hydrochloric Acid SCHEMBL5811653 0.68 SMN1; SMN2 (0.45) CYP1A2PKMCPA3SMN1; SMN2HIF1A
SCHEMBL1462830 0.66 CYP1A2 (0.44) CYP1A2PKMALDH1A1CPA3ALPI
SCHEMBL5740079 0.66 MAPT (0.44) CYP1A2ALDH1A1CPA3CPA1FOLH1
SCHEMBL406701 0.66 CES1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3734387 0.66 EPHX1 (0.57) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL2677822 0.66 SMN1; SMN2 (0.53) CYP1A2PKMCPA3SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 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