SCHEMBL10143362

SCHEMBL10143362

C=C1C=C(C(F)(F)F)c2ccc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3CCCCC3)NC(=O)CCc3c[nH]c4ccccc34)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ CCKBR P32239 5/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ CCKAR P32238 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 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
SCHEMBL10144437 0.93 HDAC1 (0.40) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10144455 0.84 CCKBR (0.40) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10144456 0.82 CCKBR (0.41) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10143368 0.78 HDAC3 (0.44) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10143385 0.69 MDM2 (0.38) HDAC1HDAC4SIRT5CA1CA2
SCHEMBL10144413 0.69 CA1 (0.40) HDAC1HDAC4SIRT5CA1CA2
SCHEMBL10143383 0.69 TLR2 (0.40) SIRT5CA1CA2
SCHEMBL10144194 0.68 MDM2 (0.39) HDAC1HDAC4SIRT5CA1CA2
SCHEMBL30561254 0.67 MEN1 (0.61) —
SCHEMBL22038251 0.67 MEN1 (0.61) —

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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