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SCHEMBL5822251

SCHEMBL5822251

O=C(NC(F)CCOS(=O)(=O)OCCC(F)NC(=O)OCCOC(=O)C1CCCCC1)OCCOC(=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL2951164 0.75 ADRB2 (0.32) ALDH1A1ADRB2ADRB1ADRB3HTT
SCHEMBL1891744 0.72 ADRB2 (0.33) ALDH1A1TSHRMDM2ADRB2ADRB1
SCHEMBL2954381 0.72 EPHX1 (0.33) —
SCHEMBL3101749 0.72 TGFBR1 (0.37) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL5822249 0.72 ALDH1A1 (0.34) ALDH1A1TSHRMDM2ADRB2ADRB1
SCHEMBL8845363 0.71 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL205737 0.71 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL1884860 0.69 ADRB2 (0.39) ALDH1A1TSHRMDM2ADRB2ADRB1
SCHEMBL1889531 0.69 ADRB2 (0.39) ALDH1A1TSHRMDM2ADRB2ADRB1
SCHEMBL1882950 0.69 ADRB2 (0.36) ALDH1A1TSHRMDM2ADRB2ADRB1

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-2006050471-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE XENOPORT, INC. (US) 2006-05-11 — — WO disclosed