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Sugi Predict / Compounds / SCHEMBL10831595

SCHEMBL10831595

SCHEMBL10831595

CC(C)C(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1OCC(=O)NC(C)C(=O)NC(CCC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KLK5 Q9Y337 8/20 0.34
▸ KLK7 P49862 8/20 0.34
▸ REN P00797 4/20 0.33
▸ HRH1 P35367 1/20 0.31

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
SCHEMBL10832518 0.89 REN (0.33) L3MBTL1KLK5KLK7REN
SCHEMBL10832206 0.87 L3MBTL1 (0.36) L3MBTL1KLK5KLK7REN
SCHEMBL10832555 0.83 NOD2 (0.42) REN
SCHEMBL10831723 0.80 L3MBTL1 (0.51) L3MBTL1
SCHEMBL10832088 0.80 L3MBTL1 (0.59) L3MBTL1
SCHEMBL11159186 0.78 HRH1 (0.33) RENHRH1
SCHEMBL11117502 0.77 ANPEP (0.38) REN
SCHEMBL10832236 0.74 NOD2 (0.50) —
SCHEMBL10832365 0.74 L3MBTL1 (0.45) L3MBTL1
SCHEMBL11160213 0.73 NOD2 (0.32) RENHRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4574058-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1986-03-04 — — US disclosed
US-4446128-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1984-05-01 — — US disclosed
US-4397844-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1983-08-09 — — US disclosed
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