SCHEMBL4018047

SCHEMBL4018047

CCCCCOc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)N2C(=O)O)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
S1PR1 P21453 3/20 0.42
PPARD Q03181 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CNR2 P34972 2/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
SMPD1 P17405 5/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 1/20 0.36
CREBBP Q92793 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
SCHEMBL2955178 0.99 THRA (0.47) THRATHRBS1PR1PPARDPPARG
SCHEMBL1171971 0.99 THRA (0.47) THRATHRBS1PR1PPARDPPARG
SCHEMBL3180727 0.97 THRA (0.43) THRATHRBS1PR1PPARDPPARG
SCHEMBL2952131 0.90 PDE4A (0.37) THRATHRBS1PR1PPARDPPARG
SCHEMBL3944697 0.90 THRA (0.45) THRATHRBS1PR1PPARDPPARG
SCHEMBL2945531 0.90 THRA (0.44) THRATHRBS1PR1PPARDPPARG
SCHEMBL2945532 0.90 THRA (0.44) THRATHRBS1PR1PPARDPPARG
SCHEMBL2946699 0.90 S1PR1 (0.37) THRATHRBS1PR1PPARDPPARG
SCHEMBL2957287 0.88 THRA (0.52) THRATHRBS1PR1PPARDPPARG
SCHEMBL3170139 0.88 RXRA (0.36) S1PR1PPARDPPARGSCN9ARXRA

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-2046766-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
EP-2046746-A2 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed