SCHEMBL11225685

SCHEMBL11225685

CNC(=O)CCCCCCCCBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
LMNA P02545 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
HSP90AA1 P07900 1/20 0.41
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
TBXAS1 P24557 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL18978827 1.00 FAAH (0.48) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL10705949 1.00 FAAH (0.48) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL20399557 1.00 FAAH (0.48) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL28662838 1.00 FAAH (0.48) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL8914703 0.98
SCHEMBL8962977 0.90
SCHEMBL6159056 0.87 HDAC3 (0.55) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL5909431 0.87 HDAC3 (0.55) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL5909483 0.87 HDAC3 (0.55) FAAHLMNAHDAC1HDAC8HDAC3
SCHEMBL12333287 0.87 HDAC3 (0.55) FAAHLMNAHDAC1HDAC8HDAC3

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-4320134-A HYPOTENSIVE, ANTIASTHMATIC AND ANTIINFLAMMATORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-16 US disclosed