SCHEMBL583919

SCHEMBL583919

O=C(CCc1ccc(-c2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.65
CES1 P23141 5/20 0.60
FAAH O00519 4/20 0.60
MMP12 P39900 1/20 0.57
HDAC2 Q92769 4/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NAAA Q02083 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
PLA2G4A P47712 1/20 0.49
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1274684 0.89 CES1 (0.73) FFAR1CES1FAAHHDAC2HDAC8
SCHEMBL23512765 0.86 FAAH (0.57) FFAR1CES1FAAHMMP12HDAC2
SCHEMBL583920 0.81 CES1 (0.78) FFAR1CES1FAAHHDAC2HDAC3
SCHEMBL25146522 0.80 FAAH (0.48) FFAR1CES1FAAHHDAC2HDAC8
SCHEMBL7632072 0.79 FAAH (0.53) CES1FAAHHDAC2HDAC8LMNA
SCHEMBL1211561 0.79 FFAR1 (1.00) FFAR1MMP12NAAAFFAR4ABCC4
SCHEMBL8618654 0.79 FFAR1 (1.00) FFAR1MMP12NAAAFFAR4ABCC4
SCHEMBL8258314 0.78 FAAH (0.51) CES1FAAHPLA2G4A
SCHEMBL1171544 0.78 CES1 (0.86) CES1FAAHHDAC2HDAC3HDAC4
SCHEMBL3490381 0.78 FFAR1 (0.70) FFAR1CES1FAAHFFAR4

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-2417216-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION Inbio Prof. Jürgen Büddefeld Dr. Peter Klauth Prof. Manfred Rietz Gbr (DE) 2012-02-15 EP disclosed
WO-2010115503-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION INBIO PROF. JÜRGEN BÜDDEFELD DR. PETER KLAUTH PROF. MANFRED RIETZ GBR (DE) 2010-10-14 WO disclosed