SCHEMBL6620171

SCHEMBL6620171

CC(C)(C)OC(=O)[N+]1(C2CCNCC2)CCCC(S(=O)(=O)N2CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL6620852 0.80 RECQL (0.47) USP2SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL16823825 0.74
SCHEMBL6673776 0.70 CHRM2 (0.36)
SCHEMBL4794552 0.68
SCHEMBL6622739 0.68 BCHE (0.33)
SCHEMBL190139 0.68 USP2 (0.62) USP2SMN1; SMN2RECQL
SCHEMBL7575563 0.66
SCHEMBL16057051 0.66 TSHR (0.48) SMN1; SMN2
SCHEMBL24706546 0.65 HPGD (0.43) USP2SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL189985 0.64 TSHR (0.47) SMN1; 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
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed