SCHEMBL5074169

SCHEMBL5074169

CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.CCCCCCCCCCCCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)cc1.[O-][Sb]([O-])F.[O-][Sb]([O-])F.[O-][Sb]([O-])F.[O-][Sb]([O-])F.[O-][Sb]([O-])F.[O-][Sb]([O-])F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
LTA4H P09960 3/20 0.47
PLA2G4B P0C869 5/20 0.46
RARB P10826 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL3279397 0.94 LTA4H (0.54) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL3648479 0.93 NR5A1 (0.56) NR5A1TP53TSHRLTA4HPLA2G4B
Methane SCHEMBL2440133 0.92 NR5A1 (0.61) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL4840506 0.90 NR5A1 (0.63) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL1127790 0.90 NR5A1 (0.63) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL838115 0.90 NR5A1 (0.63) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL2436444 0.90 NR5A1 (0.63) NR5A1TP53TSHRLTA4HPLA2G4B
Ethane SCHEMBL2437543 0.88 NR5A1 (0.61) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL4618789 0.87 NR5A1 (0.56) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL4619524 0.87 NR5A1 (0.56) NR5A1TP53TSHRLTA4HPLA2G4B

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-7329715-B2 Abrasion resistant coatings by siloxane oligomers YAZAKI CORPORATION (JP) 2008-02-12 US disclosed
US-20060235178-A1 Abrasion resistant coatings by siloxane oligomers STOWE WOODWARD LLC 2006-10-19 US disclosed