SCHEMBL30957321

SCHEMBL30957321

CCCCCCCCCCCCCCCCCCN(C(=O)O)C(=O)CCCCC(=O)N(CCCCCCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.51
PHF8 Q9UPP1 4/20 0.51
KDM4C Q9H3R0 4/20 0.51
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL30957388 1.00 KDM5A (0.51) KDM5APHF8KDM4CGPR84PPARG
SCHEMBL30957397 1.00 KDM5A (0.51) KDM5APHF8KDM4CGPR84PPARG
SCHEMBL30957372 0.98 KDM5A (0.50) KDM5APHF8KDM4CGPR84PPARG
SCHEMBL30957405 0.92 KDM5A (0.49) KDM5APHF8KDM4CGPR84PPARG
Hydrochloric Acid SCHEMBL28887821 0.90 DNM1 (0.45) KDM5APHF8KDM4CGPR84PPARG
SCHEMBL13065188 0.85 CES2 (0.52) KDM5APHF8KDM4CGPR84PPARG
SCHEMBL30957370 0.85 KDM5A (0.44) KDM5APHF8KDM4CGPR84PPARG
SCHEMBL9280314 0.85 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11407728 0.85 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL29195396 0.85 GPR84 (0.48) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed