SCHEMBL17082747

SCHEMBL17082747

O=C(O)CC1C2CCC1CC(=O)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ITGB3 P05106 1/20 0.42
ITGB2 P05107 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGAL P20701 1/20 0.42
SLC6A12 P48065 5/20 0.37
SLC6A11 P48066 5/20 0.37
SLC6A13 Q9NSD5 5/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC1A2 P43004 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL1067170 0.81 HSD11B1 (0.61) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL17082744 0.81 HSD11B1 (0.47) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL10660112 0.78 HSD11B1 (0.39) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL13369738 0.74 ALDH1A1 (0.44) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL15610164 0.74 ALDH1A1 (0.44) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL7859286 0.74 HSD11B1 (0.58) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL7046134 0.74 HSD11B1 (0.58) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL17082750 0.73 HSD11B1 (0.58) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL3754325 0.72 HSD11B1 (0.56) HSD11B1ITGB3ITGB2ITGB1ITGAV
SCHEMBL10248614 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054368-B1 CYCLIC 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed