SCHEMBL4592423

SCHEMBL4592423

CCS(=O)(=O)CCCC([NH])=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
FAAH O00519 3/20 0.33
CES2 O00748 2/20 0.33
APEX1 P27695 1/20 0.33
CES1 P23141 1/20 0.33
CA2 P00918 1/20 0.31

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
SCHEMBL9883956 0.78 LMNA (0.42) LMNAFAAHCES2APEX1CES1
SCHEMBL5842389 0.78 ALDH1A1 (0.34) LMNA
SCHEMBL9883954 0.78 APEX1 (0.52) LMNAAPEX1
SCHEMBL8774964 0.77 APEX1 (0.36) APEX1
SCHEMBL9835512 0.75 APP (0.46) LMNAAPEX1
SCHEMBL5842384 0.73 ARG1 (0.31)
SCHEMBL25071530 0.73 ALDH1A1 (0.58) LMNAFAAHCES2APEX1CES1
SCHEMBL777041 0.73 CA2 (0.48) LMNAFAAHCES2CES1CA2
SCHEMBL7769895 0.71 ALDH1A1 (0.38) LMNA
SCHEMBL2610344 0.71 AKR1B1 (0.54) LMNAAPEX1

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-1902100-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2008-03-26 EP claimed
WO-2007006653-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (DE) 2007-01-18 WO claimed
EP-1902100-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2008-03-26 EP disclosed
WO-2007006653-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (DE) 2007-01-18 WO disclosed