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Sugi Predict / Compounds / SCHEMBL2563399

SCHEMBL2563399

SCHEMBL2563399

CCN(C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.45
▸ KLK5 Q9Y337 2/20 0.45
▸ TLR2 O60603 1/20 0.44
▸ TLR1 Q15399 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ SYK P43405 1/20 0.42

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
SCHEMBL1330135 1.00 KLK7 (0.45) KLK7KLK5TLR2TLR1MAPT
SCHEMBL14064950 0.86 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL30631751 0.86 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL2289683 0.86 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL31011377 0.86 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL2289677 0.86 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL2566766 0.85 SIRT2 (0.48) KLK7KLK5TLR2TLR1MAPT
SCHEMBL1330134 0.84 KLK7 (0.47) KLK7KLK5TLR2TLR1MAPT
SCHEMBL2365525 0.84 KLK7 (0.47) KLK7KLK5TLR2TLR1MAPT
SCHEMBL6200922 0.83 KLK7 (0.52) KLK7KLK5TLR2TLR1MAPT

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-2011133178-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED TAPENTADOL PRODRUG PHARMACOFORE, INC (US) 2011-10-27 — — WO disclosed