SCHEMBL6466221

SCHEMBL6466221

NC(=O)CCCCC(C(=O)c1nc2cc(C(F)(F)F)ccc2o1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.41
AKR1B1 P15121 1/20 0.39
GART P22102 1/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
EPHX1 P07099 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL6466216 0.80 DAGLA (0.44) DAGLAAKR1B1PIM1PIM2PPARG
SCHEMBL6467431 0.77 RAB9A (0.42) DAGLAGARTHDAC1HDAC7FAAH
SCHEMBL7049340 0.76 MEN1 (0.39) HDAC11HDAC3HDAC1HDAC2HDAC8
SCHEMBL6465893 0.74 GART (0.43) DAGLAGARTFAAHCES1CTSS
SCHEMBL6466213 0.74 CTSL (0.45) DAGLAAKR1B1PIM1PIM2EPHX1
SCHEMBL3639187 0.72 PIM1 (0.55) DAGLAAKR1B1HDAC11HDAC3HDAC1
SCHEMBL6463980 0.72 PIM1 (0.38) DAGLAAKR1B1PIM1PIM2EPHX1
SCHEMBL6466913 0.70 FAAH (0.41) DAGLAGARTFAAHCES1CTSS
SCHEMBL6463984 0.69 DAGLA (0.40) DAGLAAKR1B1HDAC11HDAC3HDAC1
SCHEMBL7049339 0.67 CTSS (0.53) DAGLACTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed