SCHEMBL10144455

SCHEMBL10144455

CC(C)(C)OC(=O)NCCCCC(NC(=O)C(CC1CCCCC1)NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ SIRT5 Q9NXA8 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
SCHEMBL10144456 0.93 CCKBR (0.41) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10143362 0.84 HDAC1 (0.40) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10143385 0.83 MDM2 (0.38) HDAC4HDAC1CA1CA2SIRT5
SCHEMBL10144437 0.82 HDAC1 (0.40) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10144454 0.81 CA1 (0.36) HDAC4HDAC1CA1CA2SIRT5
SCHEMBL10143783 0.81 CA1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10143484 0.78 CA1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10143782 0.78 MEN1 (0.46) CCKBRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10144413 0.77 CA1 (0.40) HDAC4HDAC1CA1CA2SIRT5
SCHEMBL10143383 0.77 TLR2 (0.40) CA1CA2SIRT5

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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