SCHEMBL8021097

SCHEMBL8021097

CC(C)C[C@H]1[C@@H](O)CC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
AR P10275 1/20 0.37
NR1H2 P55055 1/20 0.36
KLK7 P49862 2/20 0.34
KLK5 Q9Y337 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 1/20 0.34
GLA P06280 1/20 0.33
DPP4 P27487 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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
SCHEMBL3730644 0.86 NR1H2 (0.45) CHRM2CHRM1CHRM3NR1H2KLK7
SCHEMBL3398097 0.82 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2KLK7
SCHEMBL29405280 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM3NR1H2KLK7
SCHEMBL22990239 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL29222219 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL26198255 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL23186706 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL18593025 0.80 CHRM2 (0.44) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL16224801 0.79 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2KLK7
SCHEMBL7979086 0.79 KLK7 (0.36) CHRM2CHRM1CHRM3NR1H2KLK7

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
EP-0643056-B1 Process for the stereospecific preparation of 1,3-dioxan-4,6-dion derivatives, precursors of chiral tetramic acids derivatives ISOCHEM SA (FR) 2000-02-16 EP disclosed
US-5498732-A REACTION WITH MELDRUM'S ACID PROPEPTIDE (FR) 1996-03-12 US disclosed
EP-0643056-A1 Process for the stereospecific preparation of 1,3-dioxan-4,6-dion derivatives, precursors of chiral tetramic acids derivatives PROPEPTIDE (FR) 1995-03-15 EP disclosed
US-4978759-A REACTING MELDRUM*S ACID WITH PROTECTED AMINO ACID, CYCLIZATION DECYCLIZING, REDUCTION AND DEPROTECTING; STATINE SANOFI, S.A. AND INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1990-12-18 US disclosed