SCHEMBL4322740

SCHEMBL4322740

O=C(O)CCCCCn1c(C(=O)O)cc2cc(OCc3c(Cl)cccc3Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 5/20 0.57
MCL1 Q07820 3/20 0.50
SRD5A2 P31213 1/20 0.47
S1PR5 Q9H228 5/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
CCR2 P41597 2/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ABCB11 O95342 1/20 0.42

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
SCHEMBL7240541 0.85 MCL1 (0.49) PLA2G4AMCL1SRD5A2CCR2LTB4R
SCHEMBL3102127 0.81 SRD5A2 (0.67) PLA2G4AMCL1SRD5A2LTB4RLTB4R2
SCHEMBL7694000 0.78 MCL1 (0.45) PLA2G4AMCL1SRD5A2CCR2LTB4R
SCHEMBL7239430 0.77 MCL1 (0.42) PLA2G4AMCL1SRD5A2CCR2
SCHEMBL7698596 0.76 SMN1; SMN2 (0.41) MCL1SRD5A2S1PR5S1PR1S1PR3
SCHEMBL7472885 0.75 CCR2 (0.48) PLA2G4ASRD5A2S1PR5S1PR1S1PR3
SCHEMBL3081974 0.75 PLA2G4A (0.50) PLA2G4AMCL1CCR2
SCHEMBL3099629 0.74 PLA2G4A (0.62) PLA2G4ASRD5A2LTB4RLTB4R2
SCHEMBL7241215 0.74 MCL1 (0.42) MCL1SRD5A2
SCHEMBL3094280 0.74 CYSLTR2 (0.51) PLA2G4ASRD5A2CCR2

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 14 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-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-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