SCHEMBL7923032

SCHEMBL7923032

CCOC(=O)C1(C(=O)OC)CC(F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL1964683 0.92 ALDH1A1 (0.39) LMNAGAAMGAMSIMGAM2
SCHEMBL1964295 0.83 SMN1; SMN2 (0.35) LMNAGAAPOLBALDH1A1ATM
SCHEMBL6908370 0.77 POLB (0.36) LMNAGAAMGAMSIMGAM2
SCHEMBL20831146 0.77 NPSR1 (0.42) LMNAGAAMGAMSIMGAM2
SCHEMBL11938481 0.76 ALDH1A1 (0.39) LMNAGAAMGAMSIMGAM2
SCHEMBL1962459 0.76 ALDH1A1 (0.39) LMNAGAAMGAMSIMGAM2
SCHEMBL12030067 0.76 ALDH1A1 (0.39) LMNAGAAMGAMSIMGAM2
SCHEMBL22698674 0.76 NPSR1 (0.41) GAAMGAMSIMGAM2POLB
SCHEMBL14592771 0.75 BRD4 (0.38) LMNAGAAMGAMSIMGAM2
SCHEMBL13640434 0.75 BRD4 (0.40) LMNAGAAMGAMSIMGAM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
EP-2752404-A1 Cysteine protease inhibitors Medivir UK Ltd (GB) 2014-07-09 EP disclosed
WO-2012168852-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-13 WO disclosed
WO-2011158197-A1 NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS MEDIVIR UK LIMITED (GB) 2011-12-22 WO disclosed
WO-2010070615-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2010-06-24 WO disclosed