SCHEMBL7613472

SCHEMBL7613472

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.56
FAAH O00519 13/20 0.46
CES1 P23141 10/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PLA2G6 O60733 1/20 0.44
EPHX1 P07099 1/20 0.42
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 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
SCHEMBL4979395 0.93 CES2 (0.46) CES2FAAHCES1MEN1CYP1A2
SCHEMBL7613477 0.89 CES2 (0.54) CES2FAAHCES1MEN1CYP1A2
SCHEMBL9142899 0.86 CES2 (0.38) CES2FAAHCES1MEN1CYP1A2
SCHEMBL4979401 0.81 CES2 (0.44) CES2FAAHCES1MEN1CYP1A2
SCHEMBL11509594 0.80 GGPS1 (0.38) CES2FAAHCES1MEN1CYP1A2
SCHEMBL11149561 0.78 CES2 (0.39) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8411172 0.75
SCHEMBL5172767 0.74 CES2 (0.62) CES2FAAHCES1MEN1CYP1A2
SCHEMBL9142904 0.74 CES2 (0.37) CES2FAAHCES1MEN1CYP1A2
SCHEMBL9162912 0.74 CES2 (0.33) CES2FAAHCES1

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