SCHEMBL27628192

SCHEMBL27628192

CCOC(=O)CC(C)(C)CCCCCCCCCCCCCCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
FFAR1 O14842 1/20 0.48
CPT2 P23786 1/20 0.48
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TRPA1 O75762 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL27608890 1.00 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL27628076 1.00 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL27628082 1.00 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL2991171 0.94 TDP1 (0.54) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL15012601 0.94 TDP1 (0.54) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL16305049 0.89 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL20457453 0.89 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL16305046 0.89 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL19861329 0.89 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL2991062 0.87 FFAR1 (0.68) TDP1FFAR1CPT2CYP4F2CYP4A11

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-1678297-A Method of treating osteoarthritis WARNER LAMBERT CO (US) 2005-10-05 CN disclosed