SCHEMBL9066508

SCHEMBL9066508

CCCCCCCCCc1ccccc1OP(O)(=S)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
TSHR P16473 1/20 0.40
PLK1 P53350 1/20 0.39
BID P55957 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
BAK1 Q16611 2/20 0.39
CETP P11597 2/20 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
SCHEMBL570551 0.86 THRA (0.49) THRATHRBPPARAPPARGLIPG
SCHEMBL17353573 0.84 THRA (0.56) THRATHRBPPARAPPARGLIPG
SCHEMBL3997456 0.84 THRA (0.56) THRATHRBPPARAPPARGLIPG
SCHEMBL1605266 0.84 LTB4R (0.40) THRATHRBPPARAPPARGLIPG
SCHEMBL31036387 0.84 THRA (0.50) THRATHRBPPARAPPARGLIPG
SCHEMBL11609843 0.84 THRA (0.50) THRATHRBPPARAPPARGLIPG
SCHEMBL9066512 0.82 PLK1 (0.49) THRATHRBPTGS2PLK1CETP
SCHEMBL3929117 0.82 THRA (0.53) THRATHRBPPARAPPARGLIPG
SCHEMBL4980580 0.82 THRA (0.53) THRATHRBPPARAPPARGLIPG
SCHEMBL1001010 0.82 THRA (0.53) THRATHRBPPARAPPARGLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714398-A1 GAMMA CRYSTALLINE MODIFICATION OF 2,2',2\"-NITRILO TRIETHYL-TRIS-(3,3',5,5'-TETRA-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIYL)PHOSPHITE] Ciba SC Holding AG (CH) 1996-06-05 EP disclosed
EP-0674614-A1 NOVEL LIQUID PHENOLIC ANTIOXIDANTS Ciba SC Holding AG (CH) 1995-10-04 EP disclosed
WO-1995005387-A1 GAMMA CRYSTALLINE MODIFICATION OF 2,2',2'-NITRILO[TRIETHYL-TRIS-(3,3',5,5'-TETRA-TERT-BUTYL-1,1'-BIPHENYL-2,2'-DIYL)PHOSPHITE] CIBA-GEIGY AG (CH) 1995-02-23 WO disclosed
WO-1994014748-A1 NOVEL LIQUID PHENOLIC ANTIOXIDANTS CIBA-GEIGY AG (CH) 1994-07-07 WO disclosed