SCHEMBL29046994

SCHEMBL29046994

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.53
THRA P10827 6/20 0.53
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 7/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32

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 0.99 THRB (0.51) THRBTHRATRPV1MEN1KMT2A
SCHEMBL29046993 0.95 THRB (0.46) THRBTHRATRPV1MEN1KMT2A
SCHEMBL29046992 0.90 THRB (0.46) THRBTHRATRPV1HPGDTSHR
SCHEMBL28065394 0.84 THRB (0.54) THRBTHRAMEN1KMT2APPARG
SCHEMBL29047005 0.81 THRB (0.38) THRBTHRATRPV1HPGDTSHR
SCHEMBL2289074 0.81 THRB (0.56) THRBTHRAMEN1KMT2AALOX5
SCHEMBL13899892 0.80 THRB (0.61) THRBTHRAMEN1KMT2AALOX5
SCHEMBL28489735 0.79 THRB (0.47) THRBTHRA
SCHEMBL3915981 0.74 THRB (0.44) THRBTHRA
SCHEMBL28516821 0.74 THRB (0.35) THRBTHRA

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