SCHEMBL6463984

SCHEMBL6463984

NC(=O)CCCC(O)(CCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ASAH1 Q13510 2/20 0.39
AKR1B1 P15121 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
FAAH O00519 3/20 0.36
CES1 P23141 2/20 0.36
S1PR1 P21453 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6466103 0.83 DAGLA (0.56) DAGLAASAH1FAAHNPC1RAB9A
SCHEMBL7186569 0.77 MEN1 (0.40) ASAH1RAB9AKDM4E
SCHEMBL6466216 0.74 DAGLA (0.44) DAGLAPIM1PIM2ASAH1AKR1B1
SCHEMBL6463980 0.73 PIM1 (0.38) DAGLAPIM1PIM2ASAH1AKR1B1
SCHEMBL6466221 0.69 DAGLA (0.41) DAGLAPIM1PIM2AKR1B1PPARG
SCHEMBL6466213 0.67 CTSL (0.45) DAGLAPIM1PIM2ASAH1AKR1B1
SCHEMBL7049306 0.67 DAGLA (0.44) DAGLAFAAHCES1HDAC2HDAC8
SCHEMBL15899682 0.66 S1PR1 (0.59) PPARGS1PR1HDAC3HDAC1HDAC2
SCHEMBL6466340 0.65 LMNA (0.39) DAGLAPPARGPPARAFAAHCES1
SCHEMBL3639187 0.64 PIM1 (0.55) DAGLAPIM1PIM2AKR1B1HDAC3

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