SCHEMBL1046791

SCHEMBL1046791

CCCCOc1ccc(CCl)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3156508 0.87 LTA4H (0.50) LTA4HTSHRTP53L3MBTL1LMNA
SCHEMBL2995440 0.85 TSHR (0.56) LTA4HTSHRTP53CYP1A2CYP2D6
SCHEMBL1044357 0.84 LTA4H (0.53) LTA4HTSHRCYP1A2CYP2D6CYP19A1
SCHEMBL1047428 0.84 LTA4H (0.53) LTA4HTSHRCYP1A2CYP2D6CYP19A1
SCHEMBL9714491 0.82 BACE1 (0.38) LTA4HL3MBTL1
SCHEMBL7533420 0.82 LTA4H (0.64) LTA4HTSHRTP53LMNAHTT
SCHEMBL9714621 0.81 KCNA3 (0.40) LTA4HL3MBTL1
SCHEMBL6018241 0.81 NR5A1 (0.58) LTA4HTSHRTP53NPC1RAB9A
Diphenylsulfane SCHEMBL1047048 0.81 LTA4H (0.53) LTA4HTSHRCYP1A2CYP2D6CYP19A1
SCHEMBL25297779 0.81 LMNA (0.53) LTA4HTP53CYP1A2CYP2C19L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461397-A1 ELECTRODE ACTIVE MATERIAL, ELECTRODE, AND ELECTRICITY STORAGE DEVICE Dow Corning Toray Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20110045963-A1 Silicon-Containing Particles, Method For Manufacturing Thereof, Oil Composition, Ceramic Material, And Method For Manufacturing Thereof DOW CORNING TORAY COMPANY, LTD. (JP) 2011-02-24 US disclosed
EP-2271702-A2 SILICON-CONTAINING PARTICLES, METHOD FOR MANUFACTURING THEREOF, OIL COMPOSITION, CERAMIC MATERIAL, AND METHOD FOR MANUFACTURING THEREOF Dow Corning Toray Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2241586-A1 SILICON-CONTAINING PARTICLE, PROCESS FOR PRODUCING THE SAME, ORGANIC-POLYMER COMPOSITION, CERAMIC, AND PROCESS FOR PRODUCING THE SAME Dow Corning Toray Co., Ltd. (JP) 2010-10-20 EP disclosed
WO-2009133765-A2 SILICON-CONTAINING PARTICLES, METHOD FOR MANUFACTURING THEREOF, OIL COMPOSITION, CERAMIC MATERIAL, AND METHOD FOR MANUFACTURING THEREOF DOW CORNING TORAY CO., LTD. (JP) 2009-11-05 WO disclosed