SCHEMBL6584031

SCHEMBL6584031

CCOC(=O)C(CC)(Oc1ccccc1OC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
PIN1 Q13526 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
PLIN1 O60240 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12670823 0.79 FBP1 (0.56) LMNAPIN1POLBSMN1; SMN2KMT2A
SCHEMBL5576457 0.74 MAPT (0.44) LMNAPIN1POLBSMN1; SMN2KMT2A
SCHEMBL11368040 0.74 POLB (0.49) LMNAPOLBSMN1; SMN2KMT2AMAPT
SCHEMBL7324343 0.74 CA12 (0.42) LMNAPOLBSMN1; SMN2MAPTGAA
SCHEMBL7861235 0.71 ALDH1A1 (0.48) LMNAMAPTALDH1A1RECQLL3MBTL1
SCHEMBL7860078 0.70 ALDH1A1 (0.47) PIN1SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL9199837 0.70 ALDH1A1 (0.47) LMNAPIN1POLBSMN1; SMN2MAPT
SCHEMBL16672585 0.70 CNR2 (0.49) LMNAPIN1POLBKMT2AMAPT
SCHEMBL13846168 0.70 HSD17B10 (0.46) LMNAPOLBSMN1; SMN2KMT2AMAPT
SCHEMBL6989689 0.70 HSD17B10 (0.62) LMNAPOLBSMN1; SMN2KMT2AMAPT

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-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US disclosed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP disclosed