SCHEMBL29629292

SCHEMBL29629292

CCCCCCCCCCCCCc1ccccc1OP(O)OP(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
LIPG Q9Y5X9 1/20 0.47
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.43
ADRB2 P07550 4/20 0.40
ADRB1 P08588 4/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30887013 1.00 THRA (0.53) THRATHRBLIPGALOX5PTGS2
SCHEMBL28376630 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL29778064 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL317708 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL8433693 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL8372832 0.91 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL11603459 0.90 THRA (0.55) THRATHRBLIPGALOX5PTGS2
SCHEMBL30143371 0.90 THRA (0.55) THRATHRBLIPGALOX5PTGS2
SCHEMBL10348761 0.89 THRA (0.56) THRATHRBLIPGALOX5PTGS2
SCHEMBL247534 0.88 THRA (0.58) THRATHRBLIPGALOX5PTGS2

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-114426761-A Biodegradable polyester material and method for producing same 财团法人工业技术研究院 2022-05-03 CN disclosed