SCHEMBL2839601

SCHEMBL2839601

O=C(Cl)OCc1ccccc1.O=C(NC1C2CC3CC1CC(C(=O)O)(C3)C2)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.52
HSD11B2 P80365 5/20 0.52
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
EPHX2 P34913 3/20 0.44
CPB1 P15086 2/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL2825063 0.95 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1846642 0.95 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1845687 0.95 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1846641 0.95 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL12578487 0.95 HSD11B1 (0.56) HSD11B1HSD11B2ALDH1A1GAATSHR
SCHEMBL1844036 0.86 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL1844035 0.86 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL1044166 0.86 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL1844038 0.86 HSD11B1 (0.57) HSD11B1HSD11B2TSHREPHX2CPB1
SCHEMBL2837021 0.85 CPB1 (0.49) HSD11B1HSD11B2ALDH1A1GAAEPHX2

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-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed