SCHEMBL27705486

SCHEMBL27705486

CCCCOP(=O)(O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CETP P11597 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL28922755 0.85 HTR2A (0.40) POLB
SCHEMBL4948497 0.82 CETP (0.44) CETP
SCHEMBL28641739 0.81 TSHR (0.40) POLB
SCHEMBL31069866 0.80 LPAR3 (0.45) CETP
Benzene SCHEMBL27735295 0.78 CYP3A4 (0.56) CETP
SCHEMBL10534552 0.78 SRC (0.52) POLB
Phenol SCHEMBL11876241 0.78 CETP (0.50) CETPLMNA
SCHEMBL4946343 0.77 CETP (0.48) CETP
SCHEMBL4948696 0.77 CETP (0.48) CETP
SCHEMBL4948722 0.77 CETP (0.48) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101205268-B Method for hydrogenating conjugated diene polymer and hydrogenation catalyst composition TSRC CORP 2010-09-29 CN disclosed
CN-101205268-A Method for hydrogenating conjugated diene polymer and hydrogenation catalyst composition TSRC CORP (CN) 2008-06-25 CN disclosed