SCHEMBL17009266

SCHEMBL17009266

CC(C)(C)OC(=O)N[C@@H](CC[CH]Cc1ccccc1)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.48
▸ CTSS P25774 5/20 0.48
▸ PPARA Q07869 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 1/20 0.40

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
SCHEMBL17397520 0.87 TSHR (0.44) CTSKCTSS
SCHEMBL17009335 0.86 PPARG (0.43) CTSKCTSSPPARAPPARGALDH1A1
SCHEMBL28820353 0.85 CTSK (0.49) CTSKCTSSALDH1A1SMN1; SMN2CTSL
SCHEMBL15239051 0.85 CTSK (0.49) CTSKCTSSALDH1A1SMN1; SMN2CTSL
SCHEMBL6123057 0.83 CTSK (0.53) CTSKCTSSPPARAPPARGALDH1A1
SCHEMBL28820406 0.83 CTSK (0.52) CTSKCTSSALDH1A1SMN1; SMN2
SCHEMBL15238716 0.83 CTSK (0.52) CTSKCTSSALDH1A1SMN1; SMN2
SCHEMBL15238958 0.83 CTSK (0.52) CTSKCTSSALDH1A1SMN1; SMN2
SCHEMBL15238991 0.83 CTSK (0.52) CTSKCTSSALDH1A1SMN1; SMN2
SCHEMBL18190216 0.83 ALDH1A1 (0.46) CTSKALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 — — EP disclosed
EP-3104867-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS INTERESTS, LLC (US) 2016-12-21 — — EP disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 — — WO disclosed
WO-2015123447-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA, LLC (US) 2015-08-20 — — WO disclosed
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