SCHEMBL11638583

SCHEMBL11638583

CCCCOC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.60
CTSS P25774 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
GPR88 Q9GZN0 1/20 0.47
POLB P06746 1/20 0.46
S1PR3 Q99500 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL11638585 1.00 CTSK (0.60) CTSKCTSSSMN1; SMN2NPC1RAB9A
SCHEMBL11638205 0.89 CTSK (0.47) CTSKCTSSSMN1; SMN2NPC1RAB9A
SCHEMBL11638376 0.88 FAAH (0.51) CTSKCTSSSMN1; SMN2NPC1RAB9A
SCHEMBL27833801 0.87 CTSK (0.62) CTSKCTSSSMN1; SMN2GPR88S1PR3
SCHEMBL10240502 0.87 CTSK (0.62) CTSKCTSSSMN1; SMN2GPR88S1PR3
SCHEMBL16789067 0.86 CTSK (0.54) CTSKCTSSS1PR3
SCHEMBL25736775 0.86 CTSK (0.58) CTSKCTSSS1PR3
SCHEMBL11636318 0.84 CTSK (0.46) CTSKCTSSSMN1; SMN2
SCHEMBL16789064 0.84 CTSK (0.56) CTSKCTSSSMN1; SMN2LMNAS1PR3
SCHEMBL13934322 0.84 CTSK (0.70) CTSKCTSSLMNAGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4108854-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1978-08-22 US disclosed
US-3997584-A Substituted glycines and intermediates thereof SMITHKLINE CORPORATION (US) 1976-12-14 US disclosed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 US disclosed