SCHEMBL2311360

SCHEMBL2311360

OC(O)C(O)c1cc(OC2CCCCO2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
DHFR P00374 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 2/20 0.33
TNK2 Q07912 3/20 0.32
KDM4C Q9H3R0 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL566131 0.81 HSD11B1 (0.39) HSD11B1DHFRMEN1KMT2APTPN1
SCHEMBL1755976 0.78 HSD11B1 (0.41) HSD11B1DHFRMEN1KMT2APTPN1
SCHEMBL15102152 0.77 HSD11B1 (0.43) HSD11B1DHFRMEN1KMT2APTPN1
SCHEMBL2017636 0.77 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2ATNK2
SCHEMBL5535487 0.77 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2ATNK2
SCHEMBL3451372 0.77 HSD11B1 (0.43) HSD11B1DHFRMEN1KMT2ATNK2
SCHEMBL7159270 0.77 HSD11B1 (0.43) HSD11B1DHFRMEN1KMT2APTPN1
SCHEMBL24177158 0.75 AR (0.41) HSD11B1DHFRMEN1KMT2ATNK2
SCHEMBL20004827 0.75 HSD11B1 (0.41) HSD11B1DHFRMEN1KMT2APTPN1
SCHEMBL16318984 0.74 HSD11B1 (0.40) HSD11B1DHFRMEN1KMT2APTPN1

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
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 WO disclosed