SCHEMBL9862024

SCHEMBL9862024

[3H]C(CCCCCCCCCCCCC)CC([3H])CCOP(=O)(OCCC([3H])CC([3H])CCCCCCCCCCCCC)C(CCCC)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NR5A1 Q13285 1/20 0.41
LTA4H P09960 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
HSD17B3 P37058 5/20 0.34
ADRA2A P08913 2/20 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
SCHEMBL11593555 0.91 NR5A1 (0.46) GAANR5A1LTA4HMEN1KMT2A
SCHEMBL9303060 0.82 POLB (0.43) GAANR5A1LTA4HESR1LMNA
Calcium SCHEMBL11212143 0.78 SLC2A1 (0.44) NR5A1LMNATSHRLPAR2TP53
SCHEMBL11459792 0.77 ESR1 (0.38) GAANR5A1LTA4HESR1LMNA
SCHEMBL10984126 0.72 ALOX5 (0.41) GAAMEN1KMT2AESR1TSHR
Calcium SCHEMBL11208488 0.72 SLC2A1 (0.42) MAPK1SMN1; SMN2LPAR2
SCHEMBL3234995 0.72 FDPS (0.46) ESR1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL29444204 0.72 ESR1 (0.36) GAAESR1LMNACYP1A2CYP2D6
SCHEMBL11215086 0.70 ESR1 (0.44) NR5A1LTA4HESR1LMNACYP1A2
SCHEMBL11072509 0.65 ESR1 (0.47) NR5A1LTA4HMEN1KMT2AESR1

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-5043215-A Flexibility, fireproofing POLYPLASTICS CO., LTD. (JP) 1991-08-27 US disclosed
EP-0047894-A2 Homogeneous storage-stable liquid barium-cadmium-triphosphite stabilizer systems for polyvinyl chloride resins Argus Chemical Corporation (US) 1982-03-24 EP disclosed