SCHEMBL9469682

SCHEMBL9469682

CCOC(=O)C1CCCC(NC(=O)C2(CC(N)C(=O)OC(C)(C)C)CCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.45
BTK Q06187 1/20 0.40
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL9469678 1.00 MME (0.45) MMEBTKEPHX2SMN1; SMN2ALDH1A1
SCHEMBL9469674 1.00 MME (0.45) MMEBTKEPHX2SMN1; SMN2ALDH1A1
SCHEMBL9470264 0.90 MME (0.47) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9470259 0.90 MME (0.47) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9791484 0.88 MME (0.53) MMEEPHX2SMN1; SMN2ALDH1A1HTT
SCHEMBL9791469 0.88 MME (0.53) MMEEPHX2SMN1; SMN2ALDH1A1HTT
SCHEMBL9791478 0.88 MME (0.53) MMEEPHX2SMN1; SMN2ALDH1A1HTT
SCHEMBL7291524 0.79 MME (0.51) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL7302140 0.79 MME (0.51) MMEALDH1A1MEN1TSHRKMT2A
SCHEMBL9480679 0.78 CTSK (0.41) MMEKMT2A

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-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US 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