SCHEMBL2927031

SCHEMBL2927031

CCOP(=O)(OCC)c1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSS P25774 4/20 0.45
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
SYK P43405 1/20 0.40
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL2923417 1.00 CTSK (0.45) CTSKCTSSATMMEN1KMT2A
SCHEMBL2923426 0.91 CTSK (0.42) CTSKCTSSATMMEN1KMT2A
SCHEMBL2929227 0.91 CTSK (0.42) CTSKCTSSATMMEN1KMT2A
SCHEMBL2923386 0.79 CTSK (0.46) CTSKCTSSATMPPARAPPARG
SCHEMBL3055182 0.77 CTSK (0.46) CTSKCTSSMEN1KMT2APPARA
SCHEMBL25238924 0.76 CTSS (0.50) CTSKCTSSATMPPARAPPARG
SCHEMBL27159106 0.76 CTSS (0.50) CTSKCTSSATMPPARAPPARG
SCHEMBL7423496 0.76 CTSS (0.50) CTSKCTSSATMPPARAPPARG
SCHEMBL15270465 0.76 CTSS (0.50) CTSKCTSSATMPPARAPPARG
SCHEMBL25282758 0.75 CTSS (0.49) CTSKCTSSATMMEN1KMT2A

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-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 WO disclosed