SCHEMBL10143366

SCHEMBL10143366

NCCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OCCC1CNc2ccccc21)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.37
▸ CPB2 Q96IY4 1/20 0.34
▸ NMT1 P30419 12/20 0.34
▸ NMT2 O60551 11/20 0.34
▸ HDAC4 P56524 2/20 0.33
▸ MEF2D Q14814 2/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33

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
SCHEMBL10143783 0.91 CA1 (0.35) ARHDAC4
SCHEMBL10143784 0.84 CA1 (0.37) HDAC4
SCHEMBL10143364 0.83 CTSL (0.33) HDAC4MEF2DEP300
SCHEMBL10144454 0.83 CA1 (0.36) ARHDAC4
SCHEMBL10143365 0.82 AR (0.35) ARCPB2NMT1NMT2
SCHEMBL10144436 0.82 CPB2 (0.40) CPB2NMT1NMT2
SCHEMBL10144324 0.77 TLR2 (0.44) CPB2HDAC4MEF2DEP300TPSAB1
SCHEMBL10143385 0.77 MDM2 (0.38) ARHDAC4TPSAB1
SCHEMBL10144457 0.76 CA1 (0.37) HDAC4
SCHEMBL10144196 0.73 TLR2 (0.43) ARHDAC4TPSAB1

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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