SCHEMBL3938231

SCHEMBL3938231

CC(C)OC(=O)O[C@@H]1CCC[C@H](O)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SERPINE1 P05121 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL3945588 1.00 DPP4 (0.34) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL1081363 0.89 SERPINE1 (0.39) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL1077758 0.84 SERPINE1 (0.36) DPP4DPP7CHRM2CHRM4CHRM3
SCHEMBL3941108 0.84 EPHX1 (0.34) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL3938062 0.84 EPHX1 (0.34) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL3948977 0.84 EPHX1 (0.34) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL28690325 0.83 RAB9A (0.37) DPP4DPP7SERPINE1TSHR
SCHEMBL19857074 0.83 RAB9A (0.37) DPP4DPP7SERPINE1TSHR
SCHEMBL3938214 0.83 TSHR (0.39) DPP4DPP7CHRM2CHRM4CHRM1
SCHEMBL1080567 0.83 EPHX1 (0.42) SERPINE1TSHR

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
EP-1805316-B1 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF CIS-3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES EMPLOYING HYDROLASES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-15 EP disclosed
EP-1805316-A2 METHOD FOR PRODUCING THE ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES Sanofi-Aventis Deutschland GmbH (DE) 2007-07-11 EP disclosed
WO-2006015716-A2 METHOD FOR PRODUCING THE ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 WO disclosed