SCHEMBL28779023

SCHEMBL28779023

CC(C)(C)OC(=O)CC(CO)Nc1ccc(C#N)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.43
▸ RORC P51449 5/20 0.40
▸ SLC22A12 Q96S37 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL13108620 1.00 AR (0.43) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL27777719 0.90 AR (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL12345110 0.90 AR (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL27756886 0.89 AR (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL13108623 0.89 AR (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL12345120 0.88 RORC (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL13108596 0.88 AAK1 (0.37) ARALDH1A1GAA
SCHEMBL27777714 0.87 RORC (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL13108632 0.87 RORC (0.40) ARRORCSLC22A12ALDH1A1LMNA
SCHEMBL13108640 0.86 RORC (0.39) ARRORCSLC22A12ALDH1A1LMNA

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
CN-101522190-A Pyrrolidinone anilines as progesterone receptor modulators SMITHKLINE BEECHAM CORP (US) 2009-09-02 — — CN disclosed
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