SCHEMBL4367322

SCHEMBL4367322

C=C(C)CCCCCCCCC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.56
ALDH1A1 P00352 3/20 0.47
ACHE P22303 1/20 0.44
LMNA P02545 2/20 0.39
SLC15A2 Q16348 1/20 0.39
TSHR P16473 4/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35
GPR84 Q9NQS5 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
TLR2 O60603 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4377889 1.00 PAOX (0.56) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL25980107 1.00 PAOX (0.56) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL4370918 1.00 PAOX (0.56) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL12317812 1.00 PAOX (0.56) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL10501966 0.92
SCHEMBL4402095 0.92
SCHEMBL8466765 0.85 TDP1 (0.41) PAOXALDH1A1LMNATSHRNFKB1
SCHEMBL2775487 0.85 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL21818217 0.85 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2
SCHEMBL8421741 0.85 PAOX (0.72) PAOXALDH1A1ACHELMNASLC15A2

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
US-20090117478-A1 Polycarbonate Resin and Electrophotographic Photosensitive Body Using Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-05-07 US disclosed