SCHEMBL28810977

SCHEMBL28810977

CCCCCCCCCCCCCCCCCC=COc1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
PPARG P37231 1/20 0.45
FAAH O00519 2/20 0.42
EPHX2 P34913 2/20 0.42
MMP2 P08253 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ECE1 P42892 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
MUS81 Q96NY9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SAE1 Q9UBE0 1/20 0.39

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
SCHEMBL28947593 1.00 PPARA (0.45) PPARAPPARGFAAHEPHX2MMP2
SCHEMBL2369656 0.90 PPARA (0.43) PPARAPPARGFAAHEPHX2
SCHEMBL28977374 0.82 TSHR (0.55) PPARAPPARG
SCHEMBL28710286 0.81 LTA4H (0.47) PPARAPPARGFAAHEPHX2
SCHEMBL8601466 0.81 LTA4H (0.47) PPARAPPARGFAAHEPHX2
SCHEMBL31106429 0.81 LTA4H (0.47) PPARAPPARGFAAHEPHX2
SCHEMBL11341430 0.80 PPARA (0.46) PPARAPPARGFAAHEPHX2
SCHEMBL29653962 0.80 LTA4H (0.46) PPARAPPARGFAAHEPHX2
SCHEMBL677780 0.79 PPARA (0.40) PPARAPPARGFAAHEPHX2
SCHEMBL28819472 0.79 CNR1 (0.44) FAAH

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-110002962-B Method for extracting alkyl resorcinol from wheat bran 南京财经大学 2022-07-12 CN disclosed