SCHEMBL7556232

SCHEMBL7556232

C=C(C)C(=O)OC(C)COc1ccc(CCCCCCCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.51
THRA P10827 3/20 0.51
S1PR1 P21453 3/20 0.50
S1PR4 O95977 2/20 0.49
S1PR5 Q9H228 2/20 0.49
S1PR2 O95136 1/20 0.49
S1PR3 Q99500 1/20 0.49
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
PLA2G4A P47712 2/20 0.44
PPARA Q07869 1/20 0.42

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
SCHEMBL19944270 0.84 THRB (0.45) THRBTHRAS1PR1S1PR4S1PR5
SCHEMBL5211499 0.83 POLB (0.40) LMNA
SCHEMBL1446424 0.83 THRB (0.64) THRBTHRAS1PR1S1PR4S1PR5
SCHEMBL3410792 0.82 THRB (0.53) THRBTHRAMEN1ALDH1A1LMNA
SCHEMBL9624655 0.82 S1PR1 (0.49) THRBTHRAS1PR1S1PR4S1PR5
Methacrylic Acid SCHEMBL6434237 0.81 S1PR1 (0.54) THRBTHRAS1PR1S1PR4S1PR5
SCHEMBL9624089 0.81 S1PR1 (0.50) THRBTHRAS1PR1S1PR4S1PR5
SCHEMBL13397686 0.81 THRB (0.51) THRBTHRAS1PR1S1PR4S1PR5
SCHEMBL14173290 0.80 ACACB (0.47) LMNASMN1; SMN2
SCHEMBL14173282 0.80 ACACB (0.47) LMNASMN1; SMN2

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-0783023-B1 Polymeric dispersants for pigmented inks LEXMARK INT INC (US) 2002-03-13 EP claimed
US-20160208127-A1 COMPOSITION AND FILM TOYO GOSEI CO., LTD. (JP) 2016-07-21 US disclosed