SCHEMBL4618928

SCHEMBL4618928

CCCCC(O)N(CCN(C(O)CCCC)C(O)CCCC)C(O)CCCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
DNM1 Q05193 2/20 0.36
FDPS P14324 1/20 0.36
CA2 P00918 3/20 0.34
MAPK1 P28482 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
CA1 P00915 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
SCHEMBL465289 0.92 ALDH1A1 (0.36) ALDH1A1DNM1FDPSCA2MAPK1
SCHEMBL1548798 0.92 ALDH1A1 (0.36) ALDH1A1DNM1FDPSCA2MAPK1
SCHEMBL16105080 0.90 GPR84 (0.45) FDPSGPR84SPHK1FFAR1LMNA
SCHEMBL5072154 0.90 DNM1 (0.44) ALDH1A1DNM1CA2GPR84CA1
SCHEMBL9807849 0.88 DNM1 (0.48) DNM1CA2GPR84CA1SPHK1
SCHEMBL465302 0.85 GPR84 (0.40) FDPSGPR84SPHK1FFAR1LMNA
Hydrochloric Acid SCHEMBL15820824 0.84 ALDH1A1 (0.40) ALDH1A1FDPSSPHK1LMNA
Bromide SCHEMBL15820236 0.84 ALDH1A1 (0.40) ALDH1A1DNM1FDPSSPHK1LMNA
SCHEMBL465470 0.84 ALDH1A1 (0.37) ALDH1A1DNM1FDPSCA2MAPK1
SCHEMBL28257130 0.83 TSHR (0.33) FDPSTDP1LMNA

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-1603846-A2 STRENGTH IMPROVEMENT ADMIXTURE Construction Research & Technology GmbH (DE) 2005-12-14 EP claimed
WO-2004076376-A2 STRENGTH IMPROVEMENT ADMIXTURE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2004-09-10 WO claimed
EP-1984471-A2 ZIRCONIUM CROSS-LINKING COMPOSITION AND METHODS OF USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-29 EP disclosed
WO-2007095018-A2 ZIRCONIUM CROSS-LINKING COMPOSITION AND METHODS OF USE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-23 WO disclosed