SCHEMBL7019571

SCHEMBL7019571

CCCC[C@H](C)CC(=O)CO[PH](=O)OCC(=O)C[C@@H](C)CCCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
CA2 P00918 4/20 0.33
CA1 P00915 4/20 0.33
MAPK1 P28482 1/20 0.32
CTSK P43235 3/20 0.31
SLC15A1 P46059 1/20 0.31
FAAH O00519 4/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7019573 0.88 ACE2 (0.35) ACE2CA2CA1MAPK1SLC15A1
SCHEMBL28716932 0.79 ACE2 (0.47) ACE2CA2CA1MAPK1SLC15A1
SCHEMBL9159552 0.77 TSHR (0.34) TSHR
SCHEMBL4514707 0.75 ACE2 (0.44) ACE2CA2CA1MAPK1SLC15A1
SCHEMBL9463468 0.75 CA1 (0.41) ACE2CA2CA1MAPK1CTSK
SCHEMBL8439665 0.74 TSHR (0.35) ACE2CA2CA1MAPK1CYP3A4
SCHEMBL26105556 0.74 ACE2 (0.42) ACE2CA2CA1MAPK1SLC15A1
SCHEMBL11915918 0.74 ACE2 (0.42) ACE2CA2CA1MAPK1SLC15A1
SCHEMBL28480389 0.73 ACE2 (0.55) ACE2CA2CA1MAPT
SCHEMBL29768825 0.72 TSHR (0.34) ACE2CA2CA1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789022-B1 Difluoroprostacyclins, intermediates for production thereof and processes for production thereof ASAHI GLASS CO LTD (JP) 2003-06-18 EP disclosed
EP-0669329-B1 Difluorprostacyclins, intermediates for production thereof and processes for production thereof ASAHI GLASS CO LTD (JP) 1998-05-20 EP disclosed
US-5747531-A STABILITY; ANTICOAGULANTS, VASODILATORS ASAHI GLASS COMPANY LTD. (JP) 1998-05-05 US disclosed
EP-0789022-A1 Difluoroprostacyclins, intermediates for production thereof and process for production ASAHI GLASS COMPANY LTD. (JP) 1997-08-13 EP disclosed
US-5616732-A Intermediates for difluoroprostacyclins and methods for their production ASAHI GLASS COMPANY LTD. (JP) 1997-04-01 US disclosed
US-5538995-A Difluoroprostacyclins ASAHI GLASS COMPANY LTD. (JP) 1996-07-23 US disclosed
EP-0669329-A1 Difluorprostacyclins, intermediates for production thereof and processes for production thereof ASAHI GLASS COMPANY LTD. (JP) 1995-08-30 EP disclosed