SCHEMBL13545169

SCHEMBL13545169

CCC(=O)CCC(=O)NN(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM7A Q6ZMT4 1/20 0.61
PHF8 Q9UPP1 1/20 0.61
KDM2A Q9Y2K7 1/20 0.61
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSD P07339 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
SCHEMBL584428 0.85 PHF8 (0.80) KDM7APHF8KDM2ACNR1CNR2
SCHEMBL1792763 0.78
SCHEMBL629814 0.78
SCHEMBL17047606 0.76 PHF8 (1.00) KDM7APHF8KDM2AHDAC3HDAC1
Succinic Acid SCHEMBL18497045 0.76 PHF8 (1.00) KDM7APHF8KDM2AHDAC3HDAC1
SCHEMBL50347 0.76 PHF8 (1.00) KDM7APHF8KDM2AHDAC3HDAC1
Hydrochloric Acid SCHEMBL28258601 0.76 KDM7A (0.60) KDM7APHF8KDM2ACNR1CNR2
Succinic Acid SCHEMBL18497046 0.76 PHF8 (1.00) KDM7APHF8KDM2AHDAC3HDAC1
SCHEMBL19439713 0.74 KDM7A (0.58) KDM7APHF8KDM2ACNR1CNR2
SCHEMBL3401157 0.74 PHF8 (0.64) KDM7APHF8KDM2ACNR1CNR2

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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed