SCHEMBL7613477

SCHEMBL7613477

CCCCCCC(F)(F)C(=O)CO[PH](=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.54
FAAH O00519 13/20 0.44
CES1 P23141 10/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G6 O60733 1/20 0.42
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL4979401 0.93 CES2 (0.44) CES2FAAHCES1MEN1CYP1A2
SCHEMBL7613472 0.89 CES2 (0.56) CES2FAAHCES1MEN1CYP1A2
SCHEMBL9142904 0.86 CES2 (0.37) CES2FAAHCES1MEN1CYP1A2
SCHEMBL7615923 0.83 CES2 (0.36) CES2
SCHEMBL11509597 0.82 GGPS1 (0.38) CES2FAAHCES1MEN1CYP1A2
SCHEMBL4979395 0.81 CES2 (0.46) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8120581 0.81 CES2 (0.32) CES2
SCHEMBL11149563 0.79 CES2 (0.38) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8411176 0.75
SCHEMBL9162916 0.75 CES2 (0.33) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857718-B1 ENDOTHELIN ANTAGONIST SUCAMPO AG (CH) 2002-08-14 EP disclosed
US-6242485-B1 ADMINISTERING PROSTANOIC ACID DERIVATIVE TO TREAT VISION, KIDNEY, CARDIOVASCULAR AND BRAIN DISORDERS; HYPOTENSIVE AND ANTIASTHMATIC AGENTS R-TECH UENO (JP) 2001-06-05 US disclosed
EP-0857718-A1 ENDOTHELIN ANTAGONIST R-Tech Ueno, Ltd. (JP) 1998-08-12 EP disclosed
EP-0046082-B1 8-AZA-16,16-DIFLUOROPROSTANOIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-05 EP disclosed
US-4320136-A ANTIASTHMATIC, ANTIULCER PROSTAGLANDINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-16 US disclosed
EP-0046082-A2 8-Aza-16,16-difluoroprostanoids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-17 EP disclosed