SCHEMBL4744749

SCHEMBL4744749

NC(CCc1ccccc1)OC(=O)CCCC(=O)OC(N)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MGLL Q99685 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 5/20 0.45
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL15989107 0.91 TLR2 (0.48) MGLLKMT2AFAAHHDAC3
SCHEMBL10620306 0.89 TLR2 (0.54) MGLLKMT2AFAAHMAPK1
SCHEMBL27808219 0.83 HDAC3 (0.51) TDP1MGLLKMT2AFAAHHDAC3
SCHEMBL28360416 0.81 ERAP1 (0.50) ANPEPERAP1ERAP2KMT2AMETAP2
SCHEMBL16755256 0.79 HCAR2 (0.49) ANPEPERAP1ERAP2MAPK1METAP2
SCHEMBL9851494 0.79 METAP2 (0.52) ANPEPERAP1ERAP2TDP1SMN1; SMN2
SCHEMBL27741870 0.77 FAAH (0.54) TDP1MGLLKMT2AFAAHHDAC3
SCHEMBL28133878 0.76 MGLL (0.48) TDP1MGLLFAAHLPAR1
SCHEMBL15989153 0.75 KDM4E (0.49) KMT2ALTA4H
SCHEMBL27597980 0.75 METAP2 (0.49) ANPEPERAP1ERAP2TDP1METAP2

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
WO-2008118423-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-10-02 WO disclosed