SCHEMBL175646

SCHEMBL175646

Cc1ccc(F)c(F)c1F.Cc1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
HPGD P15428 1/20 0.36
PTGS2 P35354 6/20 0.33
PTGS1 P23219 3/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
HDAC4 P56524 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
P2RX7 Q99572 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL67359 1.00 ACHE (0.41) ACHECES2CES1HPGDPTGS2
Methylene Chloride SCHEMBL15412127 0.89 ACHE (0.35) ACHECES2CES1HPGDPTGS2
Chloroform SCHEMBL1547931 0.89 ACHE (0.35) ACHECES2CES1HPGDPTGS2
SCHEMBL30064 0.87 ACHE (0.42) ACHEHPGDHTTCYP1A2HDAC4
Toluene SCHEMBL2920071 0.85 ACHE (0.50) ACHECES2CES1HPGDPTGS2
1,2-Dichlorobenzene SCHEMBL19179804 0.83 TSHR (0.43) ACHEPTGS2PTGS1HTTCYP1A2
SCHEMBL6467776 0.82 CES2 (0.39) CES2CES1HPGDPTGS2PTGS1
SCHEMBL16859740 0.80 CES2 (0.42) CES2CES1HPGDHTTHDAC4
SCHEMBL45430 0.79 CES2 (0.53) ACHECES2CES1
SCHEMBL8428973 0.79 ACHE (0.39) ACHECES2CES1PTGS2PTGS1

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
US-20120056249-A1 INTERLAYER FOR ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed
US-20120056183-A1 GATE INSULATOR LAYER FOR ORGANIC ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed