SCHEMBL7574584

SCHEMBL7574584

CC(C)(C)C(=O)CCCCI

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.38
CES1 P23141 7/20 0.37
CES2 O00748 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL16640759 0.87 FAAH (0.46) FAAHCES1CES2KMT2AMEN1
SCHEMBL16640758 0.84 FAAH (0.48) FAAHCES1CES2KMT2AMEN1
SCHEMBL18751671 0.84 FAAH (0.48) FAAHCES1CES2KMT2AMEN1
SCHEMBL16722811 0.84 FAAH (0.48) FAAHCES1CES2KMT2AMEN1
SCHEMBL12247043 0.84 FAAH (0.48) FAAHCES1CES2KMT2AMEN1
SCHEMBL13661862 0.84 FAAH (0.48) FAAHCES1CES2KMT2AMEN1
SCHEMBL19163900 0.84 FAAH (0.48) FAAHCES1CES2KMT2AMEN1
SCHEMBL2529979 0.82 FAAH (0.39) FAAHCES1CES2KMT2AMEN1
SCHEMBL5021516 0.81 FAAH (0.40) FAAHCES1CES2KMT2AMEN1
SCHEMBL2529889 0.80 FAAH (0.41) FAAHCES1CES2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed