SCHEMBL9017550

SCHEMBL9017550

CCCCCCCCNC(C)=CC(=O)OCC.CCCCCCCCNC(C)=CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
EPHX1 P07099 7/20 0.45
ZDHHC20 Q5W0Z9 3/20 0.42
ZDHHC2 Q9UIJ5 2/20 0.42
CASP2 P42575 1/20 0.41
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.39
ACHE P22303 5/20 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
SCHEMBL14148321 0.95 FAAH (0.50) FAAHEPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL8047293 0.95 FAAH (0.50) FAAHEPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL1275793 0.95 FAAH (0.50) FAAHEPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL4625428 0.95 FAAH (0.50) FAAHEPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL8025931 0.95 FAAH (0.50) FAAHEPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL10653785 0.89 ACHE (0.47) FAAHEPHX1ACHE
SCHEMBL10665052 0.89 ACHE (0.47) FAAHEPHX1ACHE
SCHEMBL11345963 0.89 NPSR1 (0.47) FAAHEPHX1ACHE
SCHEMBL14148319 0.87 EPHX1 (0.57) FAAHEPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL3128562 0.87 EPHX1 (0.57) FAAHEPHX1ZDHHC20ZDHHC2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746305-A1 SUNSCREEN COMPOSITIONS Ciba SC Holding AG (CH) 1996-12-11 EP claimed
WO-1995022959-A2 SUNSCREEN COMPOSITIONS CIBA-GEIGY AG (CH) 1995-08-31 WO claimed