SCHEMBL8524401

SCHEMBL8524401

COC(=O)C1CCC(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.46
CNR2 P34972 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27485384 1.00 TAS2R14 (0.48) TAS2R14LMNAMAPK1CNR2SMN1; SMN2
SCHEMBL8524504 0.90 TAS2R14 (0.57) TAS2R14LMNAMAPK1CNR2
SCHEMBL27561328 0.90 TAS2R14 (0.57) TAS2R14LMNAMAPK1CNR2
Bicarbonate SCHEMBL9058314 0.85 PTGES (0.48) TAS2R14LMNACNR2POLB
SCHEMBL16558052 0.74 MAPK1 (0.51) MAPK1SMN1; SMN2POLBTDP1
SCHEMBL15534600 0.72 HDAC1 (0.47) TAS2R14LMNASMN1; SMN2
SCHEMBL1133773 0.70 LMNA (0.59) LMNASMN1; SMN2
SCHEMBL8484438 0.69 GBA1 (0.70) POLB
SCHEMBL6774597 0.69 TAS2R14 (0.47) TAS2R14MAPK1SMN1; SMN2
SCHEMBL12077868 0.69 TAS2R14 (0.52) TAS2R14LMNACNR2SMN1; 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 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