SCHEMBL7400654

SCHEMBL7400654

CC(=O)OC(C)(C)C.CCCC(CCC)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS2 P35354 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
MME P08473 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
FOLH1 Q04609 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
T-Butylacetic Acid SCHEMBL7460578 0.81 ACE (0.47) ACEKDM4EMAPTTHRBALOX15
SCHEMBL7353416 0.80 KDM4E (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL7400657 0.75 CYP1A2 (0.48) ACESMN1; SMN2CTSSCTSKHDAC8
Acetic Acid Methyl Ester SCHEMBL7402646 0.74 KDM4E (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL314569 0.73 KDM4E (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1564513 0.73 KDM4E (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL5819429 0.73 KDM4E (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29604456 0.71 ACE (0.54) ACEKDM4EMAPTTHRBALOX15
SCHEMBL930665 0.71 ACE (0.68) ACEKDM4EMAPTTHRBALOX15
SCHEMBL19321588 0.71 HDAC8 (0.47) ACEKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-5681844-A ANTITHROMBOTIC AGENTS, ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1997-10-28 US 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
US-5514777-A Methods of synthesis of peptidyl argininals CORVAS INTERNATIONAL, INC. (US) 1996-05-07 US disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed