SCHEMBL9469801

SCHEMBL9469801

CCOC(=O)C1CCC(NC(=O)C2(CC(CSCC)C(=O)OC(C)(C)C)CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.46
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL9469798 1.00 MME (0.46) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL7291524 0.88 MME (0.51) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL7302140 0.88 MME (0.51) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9470040 0.87 MME (0.49) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9470044 0.87 MME (0.49) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9470572 0.86 MME (0.46) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9470565 0.86 MME (0.46) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9480715 0.85 MME (0.48) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9480729 0.85 MME (0.48) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9470264 0.83 MME (0.47) MMEALDH1A1MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed