SCHEMBL29046993

SCHEMBL29046993

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.46
THRA P10827 6/20 0.46
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
TRPV1 Q8NER1 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALOX5 P09917 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
SCHEMBL29046999 0.96 THRB (0.51) THRBTHRATSHRHPGDTRPV1
SCHEMBL29046994 0.95 THRB (0.53) THRBTHRATSHRHPGDTRPV1
SCHEMBL29046992 0.92 THRB (0.46) THRBTHRATSHRHPGDTRPV1
SCHEMBL28489735 0.84 THRB (0.47) THRBTHRANCEH1
SCHEMBL29047005 0.83 THRB (0.38) THRBTHRATSHRHPGDTRPV1
SCHEMBL28065394 0.80 THRB (0.54) THRBTHRAMEN1KMT2A
SCHEMBL27995259 0.77 THRB (0.56) THRBTHRATSHRHPGDNCEH1
SCHEMBL3915981 0.76 THRB (0.44) THRBTHRANCEH1
SCHEMBL28516821 0.76 THRB (0.35) THRBTHRA
SCHEMBL2289074 0.74 THRB (0.56) THRBTHRATSHRHPGDMEN1

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