SCHEMBL28248774

SCHEMBL28248774

CCCCCCCC(C)(C)C(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.46
HSPD1 P10809 1/20 0.45
BLM P54132 1/20 0.45
HSPE1 P61604 1/20 0.45
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL24401338 0.93 GPR84 (0.40) GPR84HSPD1BLMHSPE1
SCHEMBL27997511 0.86 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL28779420 0.86 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL24667111 0.86 GPR84 (0.46) GPR84HSPD1BLMHSPE1PPARG
SCHEMBL28774032 0.85 CA2 (0.44) GPR84HSPD1BLMHSPE1PPARD
SCHEMBL21902155 0.85 CA2 (0.44) GPR84HSPD1BLMHSPE1PPARD
SCHEMBL17848847 0.85 TDP1 (0.36) GPR84HSPD1BLMHSPE1ALDH1A1
SCHEMBL23027844 0.84 HSPD1 (0.42) GPR84HSPD1BLMHSPE1PPARD
SCHEMBL28976130 0.84 HSPD1 (0.54) GPR84HSPD1BLMHSPE1PPARD
SCHEMBL28047044 0.84 GPR84 (0.43) GPR84HSPD1BLMHSPE1PPARG

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-108707070-A A kind of branched paraffin degradation biological marker and its synthetic method 华东理工大学 2018-10-26 CN disclosed