SCHEMBL5764699

SCHEMBL5764699

CCOC(=O)OCC1NC(=S)NC(C)=C1C(=O)OCCc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
DHFR P00374 3/20 0.43
MAPK1 P28482 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
KMT2A Q03164 4/20 0.41
ALOX12 P18054 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ADORA2B P29275 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5793380 0.91 ALDH1A1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5767392 0.90 CA1 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5793568 0.89 ALDH1A1 (0.38) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5765288 0.88 ALDH1A1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5911496 0.88 ALDH1A1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5766350 0.87 ALDH1A1 (0.38) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5794068 0.86 ALDH1A1 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5911215 0.86 ALDH1A1 (0.37) CACNA1FCACNA1DCACNA1SCACNA1CDHFR
SCHEMBL5911640 0.86 ALDH1A1 (0.37) CACNA1FCACNA1DCACNA1SCACNA1CMAPK1
SCHEMBL5792331 0.80 CACNA1F (0.49) CACNA1FCACNA1DCACNA1SCACNA1CMAPK1

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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN claimed
CN-1469860-A Aza-amino acid derivatives (factor XA-inhibitors 15) Ĭ��ר���ɷ����޹�˾ 2004-01-21 CN claimed
CN-106029064-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2016-10-12 CN disclosed
CN-105992768-A Imidazopyridazine compounds useful as modulators of il-12, il-23 and/or ifn alpha responses 百时美施贵宝公司 2016-10-05 CN disclosed
CN-105294701-A Cyclic P1 linkers as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2016-02-03 CN disclosed
CN-105228996-A Tetrahydroisoquinolines containing substituted azoles as factor xia inhibitors BRISTOL MYERS SQUIBB CO 2016-01-06 CN disclosed
CN-1882701-B Size-controlled macromole POSCO (KR) 2015-11-25 CN disclosed
CN-103702999-B Cyclic P1 linkers as factor XIA inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
CN-104774175-A Labeled inhibitors of prostate specific membrane antigen (PSMA), biological evaluation, and use as imaging agents UNIV JOHNS HOPKINS 2015-07-15 CN disclosed
CN-101784192-B Inhibitors of labeled Prostate Specific Membrane Antigen (PSMA), biological evaluation and use as imaging agents UNIV JOHNS HOPKINS 2015-03-18 CN disclosed
CN-102026996-B Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2015-01-07 CN disclosed
CN-1036959-A Cephem compounds and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1989-11-08 CN disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
CN-1033628-A Imidazopyridine compound and preparation method thereof FUJISAWA PHARMACEUTIAL CO LTD (JP) 1989-07-05 CN disclosed
CN-1032540-A Cephem compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1989-04-26 CN disclosed
CN-87107938-A 3-pyrrolidyl sulfo--1-azabicyclo [3,2,0] hept-2-ene\"-2-formic acid cpds and preparation method thereof 1988-08-10 CN disclosed
CN-87104230-A Different  oxazolidinone derivative and production method thereof 1987-12-23 CN disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
CN-86104313-A The preparation method of Imidazoheterocyclic compounds 1987-03-04 CN disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed