SCHEMBL10979679

SCHEMBL10979679

CCCCCCCCCCCCc1cc(C)cc(CCCCCCCCCCCC)c1OP(=O)(O)O.CCCCCCCCCc1ccccc1OP(=O)(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PPARA Q07869 2/20 0.40
PLK1 P53350 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
PPARG P37231 1/20 0.39
ALOX5 P09917 2/20 0.39
PTGS2 P35354 1/20 0.39
CETP P11597 1/20 0.37
TSHR P16473 1/20 0.36
INPPL1 O15357 1/20 0.36
INPP5B P32019 1/20 0.36
INPP5A Q14642 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL456733 0.86 SRC (0.45) PLK1ALOX5PTGS2CETPTSHR
SCHEMBL18141467 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL18139228 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL18140210 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL1100816 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL248072 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL18141719 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL18139782 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL18140912 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG
SCHEMBL10878272 0.84 THRA (0.56) THRATHRBPPARAPLK1LIPG

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
EP-0135726-A2 Flame retardant polyolefin compositions, articles, and process of manufacture GENERAL ELECTRIC COMPANY (US) 1985-04-03 EP disclosed