SCHEMBL5135657

SCHEMBL5135657

COCOc1ccc(C(=O)c2c(C)cc(OP(C)(=O)Oc3cc(C)c(C(=O)c4ccc(OCOC)c(C(C)C)c4)c(C)c3)cc2C)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRA P10827 2/20 0.32
BACE1 P56817 1/20 0.32
EGFR P00533 1/20 0.32
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL3884343 0.86 THRB (0.34) PTGS1PTGS2TAS1R3TAS1R1LMNA
SCHEMBL3146786 0.86 THRB (0.47) PTGS1PTGS2TAS1R3TAS1R1LMNA
SCHEMBL28758420 0.84 CYP3A4 (0.38) PTGS1PTGS2LMNATHRBSMN1; SMN2
SCHEMBL282207 0.83 LMNA (0.32) PTGS1PTGS2TAS1R3TAS1R1LMNA
SCHEMBL7114179 0.75 PTGS1 (0.50) PTGS1PTGS2LMNAHPGDNPSR1
SCHEMBL8498059 0.73 THRB (0.49) PTGS1PTGS2LMNATHRBHSD17B10
SCHEMBL7119331 0.70 PTGS1 (0.50) PTGS1PTGS2LMNARAB9AHSD17B10
SCHEMBL13381631 0.70 THRB (0.56) THRBTHRA
SCHEMBL685031 0.69 PDE4A (0.35) PTGS1PTGS2THRBEGFRMEN1
SCHEMBL282132 0.68 THRB (0.66) THRBTHRA

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-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed