SCHEMBL7452712

SCHEMBL7452712

CC(C)(C)OC(=O)NC(CO)Cc1ccc(F)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ ATM Q13315 2/20 0.40
▸ AAK1 Q2M2I8 2/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ APP P05067 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7452715 1.00 CTSS (0.41) CTSSCTSKATMAAK1GRM2
SCHEMBL7464875 0.84 ATM (0.47) CTSSCTSKATMAPP
SCHEMBL7464877 0.84 ATM (0.47) CTSSCTSKATMAPP
SCHEMBL10054507 0.84 SCN9A (0.45) CTSSCTSKATMAAK1SCN9A
SCHEMBL12849500 0.84 SCN9A (0.45) CTSSCTSKATMAAK1SCN9A
SCHEMBL7458631 0.83 ELANE (0.39) ATMAAK1SCN9APTPN1APP
SCHEMBL8720423 0.83 ELANE (0.39) ATMAAK1SCN9APTPN1APP
SCHEMBL7451735 0.82 RAB9A (0.42) ATMALDH1A1NPSR1
SCHEMBL7451730 0.82 RAB9A (0.42) ATMALDH1A1NPSR1
SCHEMBL25152907 0.81 ATM (0.44) CTSSCTSKATMAAK1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873308-B1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS AND THEIR PHARMACEUTICALLY USEFUL SALTS SK CORP (KR) 2002-01-02 — — EP disclosed
EP-0820438-B1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME SK CORP (KR) 2001-06-20 — — EP disclosed
US-6140532-A O-carbamoyl-phenylalaninol having substituent at benzene ring, its pharmaceutically useful salts and method for preparing the same SK CORPORATION (US) 2000-10-31 — — US disclosed
US-5756817-A TREATMENT OF DISEASES OF CENTRAL NERVOUS SYSTEMS YUKONG LIMITED (KR) 1998-05-26 — — US disclosed
EP-0820438-A1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1998-01-28 — — EP disclosed
WO-1996032375-A1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-10-17 — — WO disclosed
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