SCHEMBL3789988

SCHEMBL3789988

O=C(Cl)CC12CC3CC(CC(Cl)(C3)C1)C2.O=C(O)CC12CC3CC(CC(Cl)(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.45
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL3760612 0.95 POLB (0.64) POLBALDH1A1TSHRLMNAGAA
SCHEMBL3749019 0.93 GAA (0.49) POLBALDH1A1TSHRGAAMEN1
SCHEMBL29838840 0.82 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL1058665 0.82 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL14433714 0.82 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL13589979 0.82 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL14493662 0.82 POLB (0.75) POLBALDH1A1TSHRLMNAGAA
SCHEMBL11577622 0.82 GAA (0.60) POLBALDH1A1TSHRGAAMEN1
SCHEMBL6865696 0.77 POLB (0.68) POLBALDH1A1TSHRLMNAGAA
SCHEMBL1788313 0.75 POLB (0.66) POLBALDH1A1TSHRLMNAGAA

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-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed