SCHEMBL7780888

SCHEMBL7780888

CCCCCCCCNC(=O)c1ccccc1C[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 16/20 0.52
SIRT1 Q96EB6 13/20 0.52
SIRT3 Q9NTG7 6/20 0.52
NAAA Q02083 2/20 0.46
KCNA5 P22460 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7782326 0.83 CTRB1 (0.52) KCNA5ALDH1A1
SCHEMBL7775452 0.83 CTRB1 (0.52) KCNA5ALDH1A1
SCHEMBL8717314 0.79 CTRB1 (0.52) MEN1ALDH1A1KMT2A
SCHEMBL7455452 0.79 CTRB1 (0.54) KCNA5ALDH1A1
SCHEMBL7455442 0.79 CTRB1 (0.54) KCNA5ALDH1A1
SCHEMBL7780900 0.79 CTRB1 (0.54) KCNA5ALDH1A1
SCHEMBL9555974 0.79 HTT (0.59) KCNA5HPGD
SCHEMBL8669583 0.79 CTRB1 (0.49) ALDH1A1
Hydrochloric Acid SCHEMBL9555799 0.78 HTT (0.58) KCNA5HPGD
SCHEMBL19050939 0.77 CTSL (0.56) SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP disclosed
US-5756817-A TREATMENT OF DISEASES OF CENTRAL NERVOUS SYSTEMS YUKONG LIMITED (KR) 1998-05-26 US disclosed
US-5705640-A O-carbamoyl-(d)-phenylalaninol compounds, their pharmaceutically useful salts and process for preparing the same YUKONG LIMITED (KR) 1998-01-06 US disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed