SCHEMBL28373334

SCHEMBL28373334

CCCCOCC(=O)C(OCCCC)(OCCCC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.51
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.37
TSHR P16473 2/20 0.36
PLA2G4B P0C869 3/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
RECQL P46063 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
FAAH O00519 1/20 0.33
RARB P10826 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL28344100 0.85 CES2 (0.42) CES2HDAC1HDAC2
SCHEMBL7642803 0.83 CES2 (0.49) CES2ALDH1A1EPHX2TSHRPLA2G4B
SCHEMBL14693821 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHDAC1HDAC2HCAR2
SCHEMBL16320641 0.80 CES2 (0.46) CES2ALDH1A1EPHX2TSHRATM
SCHEMBL4534558 0.80 CES2 (0.46) CES2ALDH1A1EPHX2TSHRPLA2G4B
SCHEMBL28412886 0.80 CES2 (0.53) CES2ALDH1A1EPHX2TSHRPLA2G4B
SCHEMBL106033 0.79 CES2 (0.51) CES2ALDH1A1EPHX2TSHRPLA2G4B
SCHEMBL105816 0.79 CES2 (0.51) CES2ALDH1A1EPHX2TSHRPLA2G4B
SCHEMBL105782 0.79 CES2 (0.51) CES2ALDH1A1EPHX2TSHRPLA2G4B
SCHEMBL3305500 0.78 CES2 (0.47) CES2ALDH1A1EPHX2TSHRPLA2G4B

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-107428212-B Tyre for vehicle wheels 株式会社普利司通 2020-03-31 CN disclosed