SCHEMBL694784

SCHEMBL694784

CCCCOC(=O)N1CCN(C(=O)CC(O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CTSK P43235 6/20 0.42
HRH2 P25021 7/20 0.39
HRH1 P35367 7/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY12 Q9H244 3/20 0.36
HTT P42858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL524089 0.82 HRH2 (0.55) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL524090 0.82 HRH2 (0.55) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL524083 0.81 ALDH1A1 (0.56) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL523962 0.81 HRH2 (0.52) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL524045 0.80 HRH2 (0.50) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL524046 0.80 HRH2 (0.50) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL522826 0.80 POLB (0.45) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL522825 0.80 POLB (0.45) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL524497 0.79 HRH2 (0.57) POLBSMN1; SMN2LMNACTSKHRH2
SCHEMBL523727 0.79 CTSK (0.50) POLBSMN1; SMN2LMNACTSKHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 WO disclosed