SCHEMBL29046992

SCHEMBL29046992

C=CC(=O)Oc1cc(C=C)c(CCC)c(CCC)c1OC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.46
THRA P10827 1/20 0.42
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
TYMS P04818 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
SCHEMBL29046993 0.92 THRB (0.46) THRBTHRAHPGDTSHRTRPV1
SCHEMBL29046999 0.91 THRB (0.51) THRBTHRAHPGDTSHRTRPV1
SCHEMBL29046994 0.90 THRB (0.53) THRBTHRAHPGDTSHRTRPV1
SCHEMBL29047005 0.86 THRB (0.38) THRBTHRAHPGDTSHRTRPV1
SCHEMBL3915981 0.83 THRB (0.44) THRBTHRANCEH1
SCHEMBL28489735 0.76 THRB (0.47) THRBTHRANCEH1
SCHEMBL28516821 0.75 THRB (0.35) THRBTHRATYMS
SCHEMBL28065394 0.75 THRB (0.54) THRBTHRA
SCHEMBL13899892 0.70 THRB (0.61) THRBTHRAHPGDTSHR
SCHEMBL29494694 0.69 THRB (0.46) THRBTHRAHPGDTSHR

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-116391001-A Curable composition and cured product thereof 日产化学株式会社 2023-07-04 CN disclosed