SCHEMBL8524504

SCHEMBL8524504

CC(C)(C)OC(=O)CN(CC1CCC(C(=O)O)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 17/20 0.57
LMNA P02545 2/20 0.46
CNR2 P34972 1/20 0.45
MAPK1 P28482 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
SCHEMBL27561328 1.00 TAS2R14 (0.57) TAS2R14LMNACNR2MAPK1
SCHEMBL27485384 0.90 TAS2R14 (0.48) TAS2R14LMNACNR2MAPK1
SCHEMBL8524401 0.90 TAS2R14 (0.48) TAS2R14LMNACNR2MAPK1
Bicarbonate SCHEMBL9058314 0.88 PTGES (0.48) TAS2R14LMNACNR2
SCHEMBL16558052 0.76 MAPK1 (0.51) MAPK1
SCHEMBL6774597 0.73 TAS2R14 (0.47) TAS2R14MAPK1
SCHEMBL1279003 0.73 TAS2R14 (1.00) TAS2R14LMNA
SCHEMBL1279268 0.73 TAS2R14 (1.00) TAS2R14LMNAMAPK1
SCHEMBL1133773 0.72 LMNA (0.59) LMNA
SCHEMBL12077868 0.71 TAS2R14 (0.52) TAS2R14LMNACNR2

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
CN-1183770-A Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1998-06-03 CN disclosed