SCHEMBL4750053

SCHEMBL4750053

CCCCCCOc1ccc2cc(C=O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.51
THRA P10827 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AHR P35869 1/20 0.48
NR5A1 Q13285 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
TSHR P16473 2/20 0.46

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
SCHEMBL4745749 1.00 PLA2G4A (0.51) PLA2G4ATHRAALDH1A1LMNAMAPT
SCHEMBL7279329 1.00 PLA2G4A (0.51) PLA2G4ATHRAALDH1A1LMNAMAPT
SCHEMBL4745997 1.00 PLA2G4A (0.51) PLA2G4ATHRAALDH1A1LMNAMAPT
SCHEMBL4749153 1.00 PLA2G4A (0.51) PLA2G4ATHRAALDH1A1LMNAMAPT
SCHEMBL8630858 0.98 ALDH1A1 (0.51) PLA2G4ATHRAALDH1A1LMNAMAPT
SCHEMBL7273053 0.95 ALDH1A1 (0.54) PLA2G4AALDH1A1LMNAMAPTHPGD
SCHEMBL12109743 0.86 AHR (0.53) PLA2G4ATHRAAHRNR5A1CA12
SCHEMBL1164661 0.85 ALDH1A1 (0.67) PLA2G4AALDH1A1LMNAMAPTHPGD
SCHEMBL585375 0.85 ALDH1A1 (0.67) PLA2G4AALDH1A1LMNAMAPTHPGD
SCHEMBL1864244 0.85 ALDH1A1 (0.67) PLA2G4AALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574922-A A kind of mitochondrial membrane potential fluorescence probe and its synthetic method and application 济南大学 2019-04-05 CN claimed
CN-109574922-A A kind of mitochondrial membrane potential fluorescence probe and its synthetic method and application 济南大学 2019-04-05 CN disclosed
CN-109574922-A A kind of mitochondrial membrane potential fluorescence probe and its synthetic method and application 济南大学 2019-04-05 CN disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 WO disclosed
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed
CN-1057306-C New polypeptide compound and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-11 CN disclosed
EP-0644199-B1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-19 EP disclosed
CN-1040541-C Polypeptide compound and process for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1998-11-04 CN disclosed
US-5693750-A MICROBIOCIDAL ACTION AGAINST PNEUMOCYSTIS INFECTIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-02 US disclosed
US-H1638-H CYCLIC HEXAPEPTIDE FURUTA TAKAHISA (JP) 1997-03-04 US disclosed
US-5569646-A TREATMENT OF PNEUMONIA; MICROBIOCIDES, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-29 US disclosed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 EP disclosed
EP-0644199-A1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-22 EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed
CN-1059729-A Novel polypeptide compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 CN disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed