SCHEMBL8648404

SCHEMBL8648404

CCCCCCN(NC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL7743897 0.92 CA12 (0.39) GPR84PPARGPPARDPPARATSHR
SCHEMBL30771785 0.86 DNM1 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL22750272 0.84 KDM5A (0.38) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL845454 0.82 KDM5A (0.40) KDM5APHF8KDM4CMEN1KMT2A
SCHEMBL27678347 0.81 GPR84 (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL4183494 0.81 GPR84 (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL27678349 0.81 GPR84 (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL6196640 0.81 KDM5A (0.36) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11650931 0.79 CA12 (0.39) KDM5APHF8KDM4CALOX15EPHX1
SCHEMBL3602153 0.76 CA12 (0.36) KDM5APHF8ALDH1A1KDM4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863709-A1 WATER-BASED SOLVANT-FREE AND EMULSIFIER-FREE MICROBICIDAL COMBINATION OF ACTIVE SUBSTANCES BAYER AG (DE) 1998-09-16 EP disclosed
WO-1997018713-A1 WATER-BASED SOLVANT-FREE AND EMULSIFIER-FREE MICROBICIDAL COMBINATION OF ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed