SCHEMBL7363488

SCHEMBL7363488

CC(C)(C)OC(=O)CSC[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
NOS2 P35228 3/20 0.41
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 8/20 0.41
SLC7A5 Q01650 1/20 0.38
BHMT Q93088 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30983358 1.00 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL5016344 0.83 BHMT (0.56) NOS2NOS1NOS3BHMT
SCHEMBL9654172 0.83 BHMT (0.56) NOS2NOS1NOS3BHMT
SCHEMBL5061196 0.81 NOS2 (0.49) ARG1ARG2NOS2NOS1NOS3
SCHEMBL5061193 0.81 NOS2 (0.49) ARG1ARG2NOS2NOS1NOS3
SCHEMBL8194703 0.81 ARG1 (0.43) ARG1ARG2NOS2NOS1NOS3
SCHEMBL15490645 0.81 CYP1A2 (0.42) CYP2C19CYP1A2CYP2C9HTTSMN1; SMN2
SCHEMBL3685147 0.80 SLC1A1 (0.46) ARG1ARG2NOS2NOS1NOS3
SCHEMBL3685144 0.80 SLC1A1 (0.46) ARG1ARG2NOS2NOS1NOS3
SCHEMBL10796639 0.77 CYP1A2 (0.46) ARG1ARG2NOS2NOS1NOS3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232416-A Preparation of heat-insulating aerogel and application of heat-insulating aerogel in energy-saving aluminum alloy door and window 格瑞禾正(山东)节能建材有限公司 2022-10-25 CN disclosed
EP-0790982-B1 METHODS OF SYNTHESIS OF PEPTIDYL ARGININALS CORVAS INT INC (US) 2002-02-27 EP disclosed
EP-0765340-B1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2000-08-30 EP disclosed
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 US disclosed
EP-0765338-B1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-04-21 EP disclosed
US-5883107-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1999-03-16 US disclosed
US-5776927-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1998-07-07 US disclosed
US-5731413-A Method of synthesis of peptidyl aldehydes CORVAS INTERNATIONAL, INC. (US) 1998-03-24 US disclosed
CN-1171116-A N-substituted glycine derivatives as factor Xa inhibitors CORVAS INT INC (US) 1998-01-21 CN disclosed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US disclosed
EP-0790982-A1 METHODS OF SYNTHESIS OF PEPTIDYL ARGININALS CORVAS INTERNATIONAL, INC. (US) 1997-08-27 EP disclosed
US-5658939-A PREVENTION THROMBOSIS IN MAMMALS CORVAS INTERNATIONAL INC. (US) 1997-08-19 US disclosed
US-5646165-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1997-07-08 US disclosed
EP-0765340-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
EP-0765338-A1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO disclosed
US-5514777-A Methods of synthesis of peptidyl argininals CORVAS INTERNATIONAL, INC. (US) 1996-05-07 US disclosed
WO-1995035312-A1 ARGININE MIMIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed
WO-1995035280-A1 METHODS OF SYNTHESIS OF PEPTIDYL ARGININALS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 WO disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed