SCHEMBL258551

SCHEMBL258551

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.41
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL28167470 0.86 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL258608 0.82 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13109370 0.81 TSHR (0.41) TSHRHPGD
SCHEMBL13498167 0.76 PKM (0.35) TSHRSMN1; SMN2
SCHEMBL2173357 0.74 CYP3A4 (0.45) TSHRALDH1A1HSD17B10CYP3A4
SCHEMBL13498163 0.73 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3280943 0.73 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3280939 0.73 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3062836 0.73 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL258493 0.72 THRB (0.50) TSHRHPGDALDH1A1TP53HIF1A

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