SCHEMBL258493

SCHEMBL258493

C=CC(=O)OCCOP(=O)(CCC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 6/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
AOX1 Q06278 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL25705259 0.86 NPSR1 (0.49) PKMSMN1; SMN2ALDH1A1AOX1NPSR1
SCHEMBL13109368 0.83 LPAR1 (0.39) THRBPKMSMN1; SMN2TSHRAOX1
SCHEMBL258550 0.81 AOX1 (0.38) THRBPKMSMN1; SMN2TSHRAOX1
SCHEMBL16920471 0.80 THRB (0.58) THRBPKMSMN1; SMN2TSHRALDH1A1
SCHEMBL19944676 0.80 THRB (0.58) THRBPKMSMN1; SMN2TSHRALDH1A1
SCHEMBL25705277 0.80 NPSR1 (0.50) SMN1; SMN2ALDH1A1AOX1NPSR1USP2
SCHEMBL29475861 0.79 THRB (0.56) THRBPKMSMN1; SMN2TSHRALDH1A1
SCHEMBL13498169 0.79 PKM (0.54) PKMSMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL28615728 0.79 NPSR1 (0.45) PKMSMN1; SMN2ALDH1A1AOX1NPSR1
SCHEMBL258565 0.78 THRB (0.41) THRBPKMSMN1; SMN2TSHRALDH1A1

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