SCHEMBL6259487

SCHEMBL6259487

CCCCOc1cc(OC(=O)O)c(O)c(C(C)(C)C)c1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
TP53 P04637 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
ESR1 P03372 4/20 0.35
SMPD1 P17405 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6258847 0.93 KMT2A (0.36) THRATHRBTP53RXRAPPARG
SCHEMBL6252173 0.85 TSHR (0.42) THRBSMN1; SMN2
SCHEMBL5587448 0.81 THRA (0.38) THRATHRBTP53ESR1RXRA
SCHEMBL5588020 0.81 THRA (0.43) THRATHRBESR1SMPD1
SCHEMBL6259480 0.80 ESR1 (0.40) THRATHRBSLC6A5ESR1SMPD1
SCHEMBL6233139 0.80 ALOX5 (0.41) THRATHRBTP53ESR1PPARG
SCHEMBL6233436 0.80 CYSLTR2 (0.42) THRATHRBPPARG
SCHEMBL5589982 0.80 THRA (0.45) THRATHRBESR1SMPD1
SCHEMBL5590501 0.80 THRA (0.45) THRATHRBESR1SMPD1
SCHEMBL5589143 0.80 THRA (0.45) THRATHRBESR1SMPD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed