SCHEMBL7713583

SCHEMBL7713583

O=C(O)COCCCCCCCCCCOCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TSHR P16473 3/20 0.41
CTH P32929 1/20 0.41
CBS P35520 1/20 0.41
THPO P40225 1/20 0.41
THRB P10828 1/20 0.39
PLA2G4B P0C869 3/20 0.39
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
PAM P19021 2/20 0.37
TBXA2R P21731 1/20 0.36
GAA P10253 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL18660231 1.00 CES2 (0.50) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL22922164 0.97 CES2 (0.48) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL10001230 0.97 CES2 (0.46) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL23405393 0.95 CES2 (0.46) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL20535086 0.95 CES2 (0.46) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL22922080 0.94 CES2 (0.44) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL23405410 0.94 CES2 (0.44) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL22609488 0.90 ALDH1A1 (0.58) ALDH1A1TSHRTHRBPLA2G4BLMNA
SCHEMBL7760402 0.90 GPR84 (0.48) CES2CYP2C19EPHX2ALDH1A1CYP4F2
SCHEMBL2600800 0.90 ALDH1A1 (0.58) ALDH1A1TSHRTHRBPLA2G4BLMNA

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
US-6365172-B1 SELF-REINFORCED BIOABSORBABLE DEVICE COMPRISED OF FUSED OR SINTERED FIBERS MADE FROM BIOABSORBABLE POLYMER COMPRISING SPECIFIED POLYESTERAMIDE BIOAMIDE, INC. 2002-04-02 US disclosed
US-6120788-A Bioabsorbable triglycolic acid poly(ester-amide)s BIOAMIDE, INC. (US) 2000-09-19 US disclosed