SCHEMBL28807752

SCHEMBL28807752

CCCCCCCCCCCCCCCC(N)(N)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.44
SMPD1 P17405 2/20 0.44
FDPS P14324 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL28298177 1.00 PLA2G2A (0.44) PLA2G2ASMPD1FDPSGPR84PPARG
SCHEMBL1446187 1.00 PLA2G2A (0.44) PLA2G2ASMPD1FDPSGPR84PPARG
Hydrochloric Acid SCHEMBL28264679 0.98 PLA2G2A (0.43) PLA2G2ASMPD1FDPSGPR84PPARG
Hydrochloric Acid SCHEMBL5073983 0.98 PLA2G2A (0.43) PLA2G2ASMPD1FDPSGPR84PPARG
SCHEMBL1115354 0.98 PLA2G2A (0.43) PLA2G2ASMPD1FDPSGPR84PPARG
Hydrochloric Acid SCHEMBL1115261 0.98 PLA2G2A (0.43) PLA2G2ASMPD1FDPSGPR84PPARG
SCHEMBL27879716 0.85 PLA2G2A (0.44) PLA2G2ASMPD1FDPSGPR84PPARG
SCHEMBL1736125 0.85 PLA2G2A (0.44) PLA2G2ASMPD1FDPSGPR84PPARG
SCHEMBL1300252 0.84 SMPD1 (0.41) SMPD1FDPSGPR84FABP3
SCHEMBL7497643 0.78 PLA2G2A (0.46) PLA2G2AGPR84PPARGPPARDPPARA

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-114829934-A Blood collection container 积水医疗株式会社 2022-07-29 CN disclosed