SCHEMBL7782326

SCHEMBL7782326

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
ELANE P08246 2/20 0.49
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CYP3A4 P08684 7/20 0.47
TSHR P16473 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRTN3 P24158 2/20 0.47
ATM Q13315 1/20 0.46
KCNA5 P22460 2/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL7775452 0.91 CTRB1 (0.52) CTRB1ELANECASP1CASP3CASP7
SCHEMBL8717314 0.86 CTRB1 (0.52) CTRB1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL7455452 0.86 CTRB1 (0.54) CTRB1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL7455442 0.86 CTRB1 (0.54) CTRB1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL7780900 0.86 CTRB1 (0.54) CTRB1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL7780890 0.85 CTRB1 (0.46) CTRB1ELANECYP3A4TSHRCYP1A2
SCHEMBL7775756 0.84 CTRB1 (0.46) CTRB1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL7782474 0.84 SGMS2 (0.54) CTRB1CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL7780888 0.83 SIRT2 (0.52) ALDH1A1KCNA5
SCHEMBL2435512 0.81 CTRB1 (0.76) CTRB1CYP3A4TSHRCYP1A2CYP2D6

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