SCHEMBL28819979

SCHEMBL28819979

CCCCCCCCOc1ccc(OCCCCCCCC)c(I)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
ST14 Q9Y5Y6 1/20 0.52
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
NR5A1 Q13285 1/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.46
LTA4H P09960 2/20 0.46
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL3342089 1.00 F2 (0.52) F2PLAUST14THRATHRB
SCHEMBL13205115 1.00 F2 (0.52) F2PLAUST14THRATHRB
SCHEMBL3340066 0.94 F2 (0.51) F2PLAUST14THRATHRB
SCHEMBL13412633 0.84 NR5A1 (0.56) THRATHRBNR5A1TSHRTP53
SCHEMBL29827682 0.82 THRB (0.51) F2PLAUST14THRATHRB
SCHEMBL2499383 0.82 NR5A1 (0.53) THRATHRBNR5A1TSHRTP53
SCHEMBL29657341 0.82 NR5A1 (0.53) THRATHRBNR5A1TSHRTP53
SCHEMBL23703968 0.81 NR5A1 (0.59) THRATHRBNR5A1TSHRTP53
SCHEMBL26635301 0.81 THRA (0.51) THRATHRBNR5A1TSHRTP53
SCHEMBL26635406 0.81 THRA (0.51) THRATHRBNR5A1TSHRTP53

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-103044663-B Method for preparing conductive conjugated polymer by heterogeneous catalytic carbon-carbon bond coupled reaction UNIV ZHEJIANG 2015-06-17 CN disclosed