SCHEMBL7400406

SCHEMBL7400406

CCCC(CCC)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)O.O=C(O)C1CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7402589 0.91 HDAC8 (0.35) HDAC8HDAC1HDAC2HDAC3HDAC4
Proline SCHEMBL7362592 0.85 DPP7 (0.39) HDAC8HDAC1HDAC2HDAC3HDAC4
SCHEMBL7405498 0.76 ITGB3 (0.45) PRCP
SCHEMBL7400749 0.71 ITGB3 (0.50) PRCP
SCHEMBL10241691 0.70 MME (0.56) HDAC8HDAC1HDAC2HDAC3HDAC4
SCHEMBL28415536 0.70 MME (0.56) HDAC8HDAC1HDAC2HDAC3HDAC4
SCHEMBL7401816 0.69 ITGB3 (0.47)
Proline SCHEMBL7401865 0.67 ITGB3 (0.48) DPP7PRCP
Propane SCHEMBL9755034 0.66 MEN1 (0.48) PRCPARG1
SCHEMBL19326365 0.65 MME (0.50) HDAC8HDAC1HDAC2HDAC3HDAC4

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
US-5776927-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1998-07-07 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
EP-0765340-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed