SCHEMBL258554

SCHEMBL258554

C=C(C)C(=O)OC(C)COC(=O)CCP(=O)(O)CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ENPP2 Q13822 8/20 0.33
LPAR3 Q9UBY5 6/20 0.33
LPAR1 Q92633 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR2 Q9HBW0 2/20 0.32
LPAR6 P43657 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL258578 0.86 TSHR (0.44) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL3914438 0.82 TSHR (0.55) TSHRMAPTALDH1A1LMNATHRB
SCHEMBL13109377 0.82 LPAR1 (0.44) TSHRENPP2LPAR3LPAR1LPAR2
SCHEMBL7759192 0.79 TSHR (0.52) TSHRMAPTALDH1A1LMNA
SCHEMBL28061998 0.79 TSHR (0.52) TSHRMAPTALDH1A1LMNA
SCHEMBL258535 0.79 THRB (0.49) TSHRSMN1; SMN2MAPTALDH1A1THRB
SCHEMBL258599 0.78 ALDH1A1 (0.44) TSHRLPAR1SMN1; SMN2ALDH1A1
SCHEMBL4067170 0.78 TSHR (0.53) TSHRMAPTALDH1A1LMNATHRB
SCHEMBL7760377 0.77 TSHR (0.57) TSHRMAPTALDH1A1THRB
SCHEMBL28119132 0.77 TSHR (0.46) TSHRMAPTALDH1A1LMNA

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
US-8063123-B2 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-22 US disclosed
US-8063123-B2 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-22 US disclosed
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 US disclosed
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 US disclosed