SCHEMBL29416629

SCHEMBL29416629

CCCCc1ccccc1OC(=O)Oc1ccccc1CCCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.61
THRB P10828 1/20 0.61
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
LIPG Q9Y5X9 1/20 0.43

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
SCHEMBL728259 1.00 THRA (0.61) THRATHRBPPARAPPARGPTGS2
SCHEMBL1838972 0.97 THRA (0.58) THRATHRBPPARAPPARGPTGS2
SCHEMBL1842590 0.97 THRA (0.58) THRATHRBPPARAPPARGPTGS2
SCHEMBL1838944 0.97 THRA (0.67) THRATHRBPPARAPPARGPTGS2
SCHEMBL1839463 0.95 THRA (0.69) THRATHRBPPARAPPARGPTGS2
SCHEMBL1837343 0.95 THRA (0.69) THRATHRBPPARAPPARGPTGS2
SCHEMBL1839158 0.95 THRA (0.69) THRATHRBPPARAPPARGPTGS2
SCHEMBL1839735 0.95 THRA (0.69) THRATHRBPPARAPPARGPTGS2
SCHEMBL1837159 0.95 THRA (0.69) THRATHRBPPARAPPARGPTGS2
SCHEMBL244081 0.95 THRA (0.68) THRATHRBPPARAPPARGPTGS2

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-114106314-A Polycarbonate polyols and use thereof 大连化学工业股份有限公司 2022-03-01 CN disclosed