SCHEMBL4318040

SCHEMBL4318040

Cc1ncc(C(O)OP(=O)(O)O)c(CNCC(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ SGPL1 O95470 2/20 0.34
▸ PNPO Q9NVS9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDCD1 Q15116 2/20 0.31
▸ CD274 Q9NZQ7 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL3691226 0.84 ESR1 (0.33) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4318095 0.83 SGPL1 (0.37) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4315599 0.82 ESR1 (0.38) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4323547 0.82 SGPL1 (0.37) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL2491358 0.80 SGPL1 (0.33) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL15094089 0.79 KDM4E (0.37) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL30583170 0.78 ESR1 (0.57) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL4385047 0.74 KDM4E (0.41) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL3447522 0.73 SGPL1 (0.33) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL9324747 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PDCD1

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 15 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
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 — — 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
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