SCHEMBL7451735

SCHEMBL7451735

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37

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
SCHEMBL7451730 1.00 RAB9A (0.42) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7452715 0.82 CTSS (0.41) ALDH1A1ATMNPSR1
SCHEMBL7452712 0.82 CTSS (0.41) ALDH1A1ATMNPSR1
SCHEMBL7464877 0.81 ATM (0.47) ATM
SCHEMBL14532784 0.81 LMNA (0.63) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL6539801 0.81 LMNA (0.63) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7465229 0.81 LMNA (0.63) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7464875 0.81 ATM (0.47) ATM
SCHEMBL7458631 0.80 ELANE (0.39) MAPTATM
SCHEMBL8720423 0.80 ELANE (0.39) MAPTATM

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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