SCHEMBL258599

SCHEMBL258599

C=C(C)C(=O)OC(C)COC(=O)CCP(=O)(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CFTR P13569 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 3/20 0.36
POLB P06746 2/20 0.36
LPAR1 Q92633 5/20 0.34

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
SCHEMBL13109378 0.85 LPAR1 (0.44) ALDH1A1CFTRSMN1; SMN2PKMTSHR
SCHEMBL258548 0.82 CFTR (0.46) ALDH1A1CFTRSMN1; SMN2PKMTSHR
SCHEMBL13109398 0.81 ALDH1A1 (0.41) ALDH1A1CFTRSMN1; SMN2PKMPOLB
SCHEMBL258578 0.80 TSHR (0.44) ALDH1A1SMN1; SMN2TSHRLPAR1
SCHEMBL258577 0.80 POLB (0.45) ALDH1A1CFTRSMN1; SMN2PKMTSHR
SCHEMBL258657 0.79 CFTR (0.43) ALDH1A1CFTRSMN1; SMN2PKMTSHR
SCHEMBL258554 0.78 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRLPAR1
SCHEMBL13498174 0.77 CFTR (0.50) ALDH1A1CFTRSMN1; SMN2PKMTSHR
SCHEMBL3914438 0.76 TSHR (0.55) ALDH1A1TSHR
SCHEMBL13109387 0.76 SMN1; SMN2 (0.40) ALDH1A1CFTRSMN1; SMN2PKMTSHR

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
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