SCHEMBL6778339

SCHEMBL6778339

CC(C)(C)OC(=O)CN1CCC(=O)N(C(C(=O)O)C(C)(C)C)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
TSHR P16473 1/20 0.31
SCN9A Q15858 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6361822 0.81 PLA2G10 (0.41) PLA2G10PLA2G5TSHRSCN9ASCN10A
SCHEMBL1364804 0.75 TSHR (0.54) PLA2G10PLA2G5TSHRKDM4EALDH1A1
SCHEMBL6334079 0.74 TSHR (0.49) PLA2G10PLA2G5TSHRKDM4EALDH1A1
SCHEMBL11042645 0.73 TSHR (0.47) PLA2G10PLA2G5TSHRKDM4EALDH1A1
SCHEMBL7555011 0.72 TSHR (0.38) PLA2G10PLA2G5TSHRKDM4EALDH1A1
SCHEMBL30170292 0.72 LMNA (0.47) TSHRALDH1A1
SCHEMBL6282329 0.68 PLA2G10 (0.47) PLA2G10PLA2G5SCN9ASCN10AKDM4E
SCHEMBL20481291 0.67 POLB (0.42) PLA2G10PLA2G5
SCHEMBL9823072 0.66 TSHR (0.44) TSHRKDM4EALDH1A1
SCHEMBL6283587 0.66 LMNA (0.48) PLA2G10PLA2G5SCN9ASCN10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208089-B1 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-10-13 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed
EP-1208089-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-05-29 EP disclosed
WO-2001010848-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-15 WO disclosed