SCHEMBL3943458

SCHEMBL3943458

COC(=O)OC1=CC(=O)CCC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MT-CO2 P00403 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3940279 0.86 MAPT (0.48) MAPTALDH1A1HSD17B10MT-CO2MEN1
SCHEMBL2566463 0.82 MAPT (0.46) MAPTALDH1A1HSD17B10KDM4EMT-CO2
SCHEMBL30889131 0.82 HPGD (0.36) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL11902792 0.78 MAPT (0.43) MAPTMT-CO2MEN1KMT2A
SCHEMBL14637386 0.78 MAPT (0.43) MAPTKDM4EMT-CO2
Bicarbonate SCHEMBL9807679 0.76 MAPT (0.51) MAPTALDH1A1MT-CO2
SCHEMBL125003 0.74
SCHEMBL1263005 0.74 HDAC4 (0.38) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL9298583 0.74 KMT2A (0.43) MAPTMEN1KMT2A
SCHEMBL25440082 0.74 KMT2A (0.60) MAPTALDH1A1HPGDMEN1KMT2A

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