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Sugi Predict / Compounds / SCHEMBL2823724

SCHEMBL2823724

SCHEMBL2823724

COc1ccc(COC(C)(C)C(=S)NC2C3CC4CC2CC(C(=O)O)(C4)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 17/20 0.53
▸ HSD11B2 P80365 13/20 0.53
▸ P2RX2 Q9UBL9 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ DGAT1 O75907 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
SCHEMBL2829986 0.92 HSD11B1 (0.53) HSD11B1HSD11B2P2RX2P2RX7
SCHEMBL2824506 0.90 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2827145 0.88 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2823363 0.84 HSD11B1 (0.49) HSD11B1HSD11B2P2RX7DGAT1
SCHEMBL2829989 0.84 HSD11B1 (0.41) HSD11B1HSD11B2P2RX2P2RX7
SCHEMBL2823756 0.84 HSD11B1 (0.49) HSD11B1HSD11B2P2RX7DGAT1
SCHEMBL2836301 0.82 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2829503 0.81 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL28067754 0.79 HSD11B1 (0.83) HSD11B1HSD11B2
SCHEMBL2825747 0.78 HSD11B1 (0.52) HSD11B1HSD11B2

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 2 patents. 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
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 — — EP disclosed