SCHEMBL17082750

SCHEMBL17082750

O=C(O)C[C@H]1C2CCC1C[C@@H](O)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
SLC6A12 P48065 5/20 0.39
SLC6A11 P48066 5/20 0.39
SLC6A13 Q9NSD5 5/20 0.39
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A2 P43004 3/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.85 HSD11B1 (0.61) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL7859286 0.82 HSD11B1 (0.58) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL7046134 0.82 HSD11B1 (0.58) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL14128663 0.76 HSD11B1 (0.41) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL3754325 0.75 HSD11B1 (0.56) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL30707244 0.74 HSD11B1 (0.50) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL24631209 0.74 HSD11B1 (0.50) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL1787432 0.73 HSD11B1 (1.00) HSD11B1SLC6A12SLC6A11SLC6A13
SCHEMBL14123210 0.73 HSD11B1 (0.48) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL9873869 0.73 HSD11B1 (0.48) HSD11B1SLC6A12SLC6A11SLC6A13ALDH1A1

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