SCHEMBL3785168

SCHEMBL3785168

O=C(Cl)CCC12CC3CC(CC(C3)C1)C2.O=C(O)CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 2/20 0.40
HSD11B2 P80365 1/20 0.40
TSHR P16473 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
POLB P06746 1/20 0.40
CCKBR P32239 1/20 0.39

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
SCHEMBL3763631 0.92 EPHX2 (0.48) EPHX2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL6858927 0.92 EPHX2 (0.48) EPHX2ALDH1A1KDM4EHTTGRIN2D
SCHEMBL1323193 0.92 EPHX2 (0.48) EPHX2ALDH1A1KDM4EHTTGRIN2D
SCHEMBL31171976 0.83 EPHX2 (0.38) EPHX2ALDH1A1KDM4EHTTGRIN2D
SCHEMBL18411712 0.82 HSD11B1 (0.46) EPHX2ALDH1A1KDM4EHTTGRIN2D
SCHEMBL24728074 0.80 GRIN2D (0.52) EPHX2ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL6865283 0.80 GRIN2D (0.52) EPHX2ALDH1A1KDM4EHTTGRIN2D
SCHEMBL6159216 0.80 GRIN2D (0.52) EPHX2ALDH1A1KDM4EHTTGRIN2D
SCHEMBL2438575 0.80 POLB (0.50) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL1758579 0.78 GRIN2D (0.53) EPHX2ALDH1A1KDM4EHTTGRIN2D

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