SCHEMBL8817795

SCHEMBL8817795

OCCC(S)CCC(O)CCC(S)CCO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
DPP4 P27487 1/20 0.33
LMNA P02545 3/20 0.30
ALDH1A1 P00352 2/20 0.30
NR1I2 O75469 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7712053 0.87 NR1I2 (0.37) THRBDPP4LMNAALDH1A1NR1I2
SCHEMBL3910942 0.87 NR1I2 (0.37) THRBDPP4LMNAALDH1A1NR1I2
SCHEMBL3391572 0.87 NR1I2 (0.37) THRBDPP4LMNAALDH1A1NR1I2
SCHEMBL538872 0.84
SCHEMBL4202345 0.77 THRB (0.67) THRBDPP4LMNAALDH1A1
SCHEMBL27683101 0.77 THRB (0.43) THRBLMNAALDH1A1NR1I2CYP1A2
SCHEMBL28572154 0.75 NR1I2 (0.33) THRBDPP4LMNAALDH1A1NR1I2
SCHEMBL28979762 0.74 THRB (0.41) THRB
SCHEMBL8219001 0.74 TDP1 (0.35) THRBTDP1
SCHEMBL77663 0.73

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
JP-9286772-A None JP disclosed
JP-H09286772-A MERCAPTO COMPOUND, TRIOL COMPOUND AND THEIR PRODUCTION SUMITOMO SEIKA CHEM CO LTD 1997-11-04 JP disclosed